Friday, June 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20N2O
MOLECULAR WEIGHT: 256.3428
SMILES: CN1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2COC1=NC4=CC=CC=C4
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Product OPENEYE NAME: N-[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide
CAS Name: N-[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
IUPAC NAME: N-[7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C14H19N5O6
MOLECULAR WEIGHT: 353.33056
SMILES: CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
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Product OPENEYE NAME: N-[7-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetraisopropyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide
CAS Name: N-[7-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
IUPAC NAME: N-[7-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[7-[(6aR,8R,9R,9aS)-9-oxidanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C26H45N5O7Si2
MOLECULAR WEIGHT: 595.8358
SMILES: CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@H]3[C@@H]([C@H]4[C@H](O3)CO[Si](O[Si](O4)(C(C)C)C(C)C)(C(C)C)C(C)C)O
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Product OPENEYE NAME: N-[7-[(6aR,8R,9R,9aR)-2,2,4,4-tetraisopropyl-9-phenoxycarbothioyloxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide
CAS Name: N-[7-[(6aR,8R,9R,9aR)-9-[phenoxy(sulfanylidene)methoxy]-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
IUPAC NAME: N-[7-[(6aR,8R,9R,9aR)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[7-[(6aR,8R,9R,9aR)-9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C33H49N5O8SSi2
MOLECULAR WEIGHT: 732.00686
SMILES: CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@H]3[C@@H]([C@H]4[C@H](O3)CO[Si](O[Si](O4)(C(C)C)C(C)C)(C(C)C)C(C)C)OC(=S)OC5=CC=CC=C5
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Product OPENEYE NAME: N-[7-[(6aR,8R,9aS)-2,2,4,4-tetraisopropyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide
CAS Name: N-[7-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
IUPAC NAME: N-[7-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[7-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C26H45N5O6Si2
MOLECULAR WEIGHT: 579.8364
SMILES: CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@H]3C[C@H]4[C@H](O3)CO[Si](O[Si](O4)(C(C)C)C(C)C)(C(C)C)C(C)C
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Product OPENEYE NAME: N-[7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide
CAS Name: N-[7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
IUPAC NAME: N-[7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[7-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C14H19N5O5
MOLECULAR WEIGHT: 337.33116
SMILES: CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@H]3C[C@@H]([C@H](O3)CO)O
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Product OPENEYE NAME: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide
CAS Name: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-2-oxolanyl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
IUPAC NAME: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C35H37N5O7
MOLECULAR WEIGHT: 639.69758
SMILES: CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
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Product OPENEYE NAME: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide
CAS Name: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxy-2-oxolanyl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
IUPAC NAME: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C44H54N7O8P
MOLECULAR WEIGHT: 839.915421
SMILES: CC(C)C(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N
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Product OPENEYE NAME: (4,5-dichloro-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
CAS Name: (4,5-dichloro-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
IUPAC NAME: (4,5-dichloro-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
SYSTEMATIC NAME: [4,5-bis(chloranyl)-1H-pyrrol-2-yl]-(2-hydroxyphenyl)methanone
MOLECULAR FORMULA: C11H7Cl2NO2
MOLECULAR WEIGHT: 256.08478
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC(=C(N2)Cl)Cl)O
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Product OPENEYE NAME: (2-hydroxyphenyl)-(1H-pyrrol-2-yl)methanone
CAS Name: (2-hydroxyphenyl)-(1H-pyrrol-2-yl)methanone
IUPAC NAME: (2-hydroxyphenyl)-(1H-pyrrol-2-yl)methanone
SYSTEMATIC NAME: (2-hydroxyphenyl)-(1H-pyrrol-2-yl)methanone
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=CN2)O
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Product OPENEYE NAME: (2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone
CAS Name: (2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone
IUPAC NAME: (2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone
SYSTEMATIC NAME: (2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: COC1=CC=CC=C1C(=O)C2=CC=CN2
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Product OPENEYE NAME: (4,5-dibromo-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
CAS Name: (4,5-dibromo-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
IUPAC NAME: (4,5-dibromo-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
SYSTEMATIC NAME: [4,5-bis(bromanyl)-1H-pyrrol-2-yl]-(2-hydroxyphenyl)methanone
MOLECULAR FORMULA: C11H7Br2NO2
MOLECULAR WEIGHT: 344.98678
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC(=C(N2)Br)Br)O
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Product OPENEYE NAME: (5-chloro-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
CAS Name: (5-chloro-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
IUPAC NAME: (5-chloro-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
SYSTEMATIC NAME: (5-chloranyl-1H-pyrrol-2-yl)-(2-hydroxyphenyl)methanone
MOLECULAR FORMULA: C11H8ClNO2
MOLECULAR WEIGHT: 221.63972
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=C(N2)Cl)O
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Product OPENEYE NAME: 2-methyl-4-oxo-1-propyl-pyridin-3-olate
CAS Name: 2-methyl-4-oxo-1-propyl-3-pyridinolate
IUPAC NAME: 2-methyl-4-oxo-1-propylpyridin-3-olate
SYSTEMATIC NAME: 2-methyl-4-oxidanylidene-1-propyl-pyridin-3-olate
MOLECULAR FORMULA: C9H12NO2-
MOLECULAR WEIGHT: 166.19708
SMILES: CCCN1C=CC(=O)C(=C1C)[O-]
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All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H14N4O
MOLECULAR WEIGHT: 338.36206
SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C5=CC=CC=C5[C@@H]([C@H]4O)N=[N+]=[N-])N=C32
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Product OPENEYE NAME: N-[(E)-2-nitroso-1-propyl-pent-1-enyl]hydroxylamine
CAS Name: N-[(E)-5-nitrosooct-4-en-4-yl]hydroxylamine
IUPAC NAME: N-[(E)-5-nitrosooct-4-en-4-yl]hydroxylamine
SYSTEMATIC NAME: N-[(E)-5-nitrosooct-4-en-4-yl]hydroxylamine
MOLECULAR FORMULA: C8H16N2O2
MOLECULAR WEIGHT: 172.22484
SMILES: CCC/C(=C(/CCC)\N=O)/NO
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Product OPENEYE NAME: (E)-3-nitro-1,4-diphenyl-but-3-en-2-one oxime
CAS Name: (E)-3-nitro-1,4-diphenyl-3-buten-2-one oxime
IUPAC NAME: (NZ)-N-[(E)-3-nitro-1,4-diphenylbut-3-en-2-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(E)-3-nitro-1,4-diphenyl-but-3-en-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C16H14N2O3
MOLECULAR WEIGHT: 282.29396
SMILES: C1=CC=C(C=C1)C/C(=N/O)/C(=C\C2=CC=CC=C2)/[N+](=O)[O-]
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Product OPENEYE NAME: (E)-3-nitro-1,4-bis(o-tolyl)but-3-en-2-one oxime
CAS Name: (E)-1,4-bis(2-methylphenyl)-3-nitro-3-buten-2-one oxime
IUPAC NAME: (NZ)-N-[(E)-1,4-bis(2-methylphenyl)-3-nitrobut-3-en-2-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(E)-1,4-bis(2-methylphenyl)-3-nitro-but-3-en-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C18H18N2O3
MOLECULAR WEIGHT: 310.34712
SMILES: CC1=CC=CC=C1C/C(=N/O)/C(=C\C2=CC=CC=C2C)/[N+](=O)[O-]
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Product OPENEYE NAME: (E)-3-nitro-1,4-bis(p-tolyl)but-3-en-2-one oxime
CAS Name: (E)-1,4-bis(4-methylphenyl)-3-nitro-3-buten-2-one oxime
IUPAC NAME: (NZ)-N-[(E)-1,4-bis(4-methylphenyl)-3-nitrobut-3-en-2-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(E)-1,4-bis(4-methylphenyl)-3-nitro-but-3-en-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C18H18N2O3
MOLECULAR WEIGHT: 310.34712
SMILES: CC1=CC=C(C=C1)C/C(=N/O)/C(=C\C2=CC=C(C=C2)C)/[N+](=O)[O-]
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Product OPENEYE NAME: (E)-1,4-bis(1-naphthyl)-3-nitro-but-3-en-2-one oxime
CAS Name: (E)-1,4-bis(1-naphthalenyl)-3-nitro-3-buten-2-one oxime
IUPAC NAME: (NZ)-N-[(E)-1,4-dinaphthalen-1-yl-3-nitrobut-3-en-2-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(E)-1,4-dinaphthalen-1-yl-3-nitro-but-3-en-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C24H18N2O3
MOLECULAR WEIGHT: 382.41132
SMILES: C1=CC=C2C(=C1)C=CC=C2C/C(=N/O)/C(=C\C3=CC=CC4=CC=CC=C43)/[N+](=O)[O-]
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Product OPENEYE NAME: (E)-3-nitro-1,4-bis(2-thienyl)but-3-en-2-one oxime
CAS Name: (E)-3-nitro-1,4-dithiophen-2-yl-3-buten-2-one oxime
IUPAC NAME: (NZ)-N-[(E)-3-nitro-1,4-dithiophen-2-ylbut-3-en-2-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(E)-3-nitro-1,4-dithiophen-2-yl-but-3-en-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C12H10N2O3S2
MOLECULAR WEIGHT: 294.3494
SMILES: C1=CSC(=C1)C/C(=N/O)/C(=C\C2=CC=CS2)/[N+](=O)[O-]
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Product OPENEYE NAME: (E)-5-nitrooct-5-en-4-one oxime
CAS Name: (E)-5-nitro-5-octen-4-one oxime
IUPAC NAME: (NZ)-N-[(E)-5-nitrooct-5-en-4-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(E)-5-nitrooct-5-en-4-ylidene]hydroxylamine
MOLECULAR FORMULA: C8H14N2O3
MOLECULAR WEIGHT: 186.20836
SMILES: CCC/C(=N/O)/C(=C\CC)/[N+](=O)[O-]
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Product OPENEYE NAME: (E)-1,4-dicyclohexyl-3-nitro-but-3-en-2-one oxime
CAS Name: (E)-1,4-dicyclohexyl-3-nitro-3-buten-2-one oxime
IUPAC NAME: (NZ)-N-[(E)-1,4-dicyclohexyl-3-nitrobut-3-en-2-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(E)-1,4-dicyclohexyl-3-nitro-but-3-en-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C16H26N2O3
MOLECULAR WEIGHT: 294.38924
SMILES: C1CCC(CC1)C/C(=N/O)/C(=C\C2CCCCC2)/[N+](=O)[O-]
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Product OPENEYE NAME: (4S,5S)-3-benzyl-4-nitro-5-phenyl-4,5-dihydroisoxazole
CAS Name: (4S,5S)-4-nitro-5-phenyl-3-(phenylmethyl)-4,5-dihydroisoxazole
IUPAC NAME: (4S,5S)-3-benzyl-4-nitro-5-phenyl-4,5-dihydro-1,2-oxazole
SYSTEMATIC NAME: (4S,5S)-4-nitro-5-phenyl-3-(phenylmethyl)-4,5-dihydro-1,2-oxazole
MOLECULAR FORMULA: C16H14N2O3
MOLECULAR WEIGHT: 282.29396
SMILES: C1=CC=C(C=C1)CC2=NO[C@H]([C@H]2[N+](=O)[O-])C3=CC=CC=C3
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Product OPENEYE NAME: (4S,5R)-3-benzyl-4-nitro-5-phenyl-4,5-dihydroisoxazole
CAS Name: (4S,5R)-4-nitro-5-phenyl-3-(phenylmethyl)-4,5-dihydroisoxazole
IUPAC NAME: (4S,5R)-3-benzyl-4-nitro-5-phenyl-4,5-dihydro-1,2-oxazole
SYSTEMATIC NAME: (4S,5R)-4-nitro-5-phenyl-3-(phenylmethyl)-4,5-dihydro-1,2-oxazole
MOLECULAR FORMULA: C16H14N2O3
MOLECULAR WEIGHT: 282.29396
SMILES: C1=CC=C(C=C1)CC2=NO[C@@H]([C@H]2[N+](=O)[O-])C3=CC=CC=C3
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Product OPENEYE NAME: 2-amino-3-methyl-N-(2-oxo-3-piperidyl)benzamide
CAS Name: 2-amino-3-methyl-N-(2-oxo-3-piperidinyl)benzamide
IUPAC NAME: 2-amino-3-methyl-N-(2-oxopiperidin-3-yl)benzamide
SYSTEMATIC NAME: 2-azanyl-3-methyl-N-(2-oxidanylidenepiperidin-3-yl)benzamide
MOLECULAR FORMULA: C13H17N3O2
MOLECULAR WEIGHT: 247.29298
SMILES: CC1=CC=CC(=C1N)C(=O)NC2CCCNC2=O
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Product OPENEYE NAME: 2-methyl-6-(4,5,6,7-tetrahydrothiazolo[5,4-b]pyridin-2-yl)aniline
CAS Name: 2-methyl-6-(4,5,6,7-tetrahydrothiazolo[5,4-b]pyridin-2-yl)aniline
IUPAC NAME: 2-methyl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
SYSTEMATIC NAME: 2-methyl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
MOLECULAR FORMULA: C13H15N3S
MOLECULAR WEIGHT: 245.3433
SMILES: CC1=CC=CC(=C1N)C2=NC3=C(S2)NCCC3
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MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2COC(=N3)NC4=CC=CC=C4
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MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2COC(=N3)NC4=CC=CC=C4
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MOLECULAR FORMULA: C16H18N2O
MOLECULAR WEIGHT: 254.32692
SMILES: CN1[C@H]2[C@H]3C[C@@H]([C@H]2COC1=NC4=CC=CC=C4)C=C3
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MOLECULAR FORMULA: C16H18N2O
MOLECULAR WEIGHT: 254.32692
SMILES: CN1[C@@H]2[C@H]3C[C@@H]([C@@H]2COC1=NC4=CC=CC=C4)C=C3
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MOLECULAR FORMULA: C15H18N2O
MOLECULAR WEIGHT: 242.31622
SMILES: C1C[C@@H]2C[C@H]1[C@@H]3[C@H]2N=C(OC3)NC4=CC=CC=C4
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MOLECULAR FORMULA: C15H18N2O
MOLECULAR WEIGHT: 242.31622
SMILES: C1C[C@@H]2C[C@H]1[C@H]3[C@@H]2N=C(OC3)NC4=CC=CC=C4
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MOLECULAR FORMULA: C16H20N2O
MOLECULAR WEIGHT: 256.3428
SMILES: CN1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2COC1=NC4=CC=CC=C4
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Product OPENEYE NAME: [(2R,3R,4R,5S)-3-benzoyloxy-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-4-methoxy-tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5S)-3-benzoyloxy-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-4-methoxy-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5S)-3-benzoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5S)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-methoxy-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C24H21FN2O8
MOLECULAR WEIGHT: 484.430543
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)F)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: [(2R,3R,4R,5S)-3-benzoyloxy-4-methoxy-5-(5-nitro-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5S)-3-benzoyloxy-4-methoxy-5-(5-nitro-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5S)-3-benzoyloxy-4-methoxy-5-(5-nitro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5S)-4-methoxy-5-[5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C24H21N3O10
MOLECULAR WEIGHT: 511.43764
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: (E)-3-amino-N-[[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]carbamoyl]-2-nitro-prop-2-enamide
CAS Name: (E)-3-amino-N-[[[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2-oxolanyl]amino]-oxomethyl]-2-nitro-2-propenamide
IUPAC NAME: (E)-3-amino-N-[[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]carbamoyl]-2-nitroprop-2-enamide
SYSTEMATIC NAME: (E)-3-azanyl-N-[[(3R,4R,5R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]carbamoyl]-2-nitro-prop-2-enamide
MOLECULAR FORMULA: C10H16N4O8
MOLECULAR WEIGHT: 320.25604
SMILES: CO[C@@H]1[C@@H]([C@H](OC1NC(=O)NC(=O)/C(=C\N)/[N+](=O)[O-])CO)O
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Product OPENEYE NAME: [(2R,3R,4R,5R)-3-benzoyloxy-5-(4-chloro-2-oxo-pyrimidin-1-yl)-4-methoxy-tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5R)-3-benzoyloxy-5-(4-chloro-2-oxo-1-pyrimidinyl)-4-methoxy-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5R)-3-benzoyloxy-5-(4-chloro-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-5-(4-chloranyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C24H21ClN2O7
MOLECULAR WEIGHT: 484.88574
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)Cl)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: [(2R,3R,4R,5S)-3-benzoyloxy-5-(4-chloro-2-oxo-pyrimidin-1-yl)-4-methoxy-tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5S)-3-benzoyloxy-5-(4-chloro-2-oxo-1-pyrimidinyl)-4-methoxy-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5S)-3-benzoyloxy-5-(4-chloro-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5S)-5-(4-chloranyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C24H21ClN2O7
MOLECULAR WEIGHT: 484.88574
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@@H]1N2C=CC(=NC2=O)Cl)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]-5-methyl-2-oxo-pyrimidin-4-yl]benzamide
CAS Name: N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2-oxolanyl]-5-methyl-2-oxo-4-pyrimidinyl]benzamide
IUPAC NAME: N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[1-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-5-methyl-2-oxidanylidene-pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C18H21N3O6
MOLECULAR WEIGHT: 375.37584
SMILES: CC1=CN(C(=O)N=C1NC(=O)C2=CC=CC=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC
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Product OPENEYE NAME: ethyl 6-hydroxy-1,3-dioxo-benzo[de]isoquinoline-5-carboxylate
CAS Name: 6-hydroxy-1,3-dioxo-5-benzo[de]isoquinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-hydroxy-1,3-dioxobenzo[de]isoquinoline-5-carboxylate
SYSTEMATIC NAME: ethyl 6-oxidanyl-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5-carboxylate
MOLECULAR FORMULA: C15H11NO5
MOLECULAR WEIGHT: 285.25154
SMILES: CCOC(=O)C1=C(C2=C3C(=CC=C2)C(=O)NC(=O)C3=C1)O
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Product OPENEYE NAME: dimethyl 4-(3,4-dihydroisoquinolin-1-yl)heptanedioate
CAS Name: 4-(3,4-dihydroisoquinolin-1-yl)heptanedioic acid dimethyl ester
IUPAC NAME: dimethyl 4-(3,4-dihydroisoquinolin-1-yl)heptanedioate
SYSTEMATIC NAME: dimethyl 4-(3,4-dihydroisoquinolin-1-yl)heptanedioate
MOLECULAR FORMULA: C18H23NO4
MOLECULAR WEIGHT: 317.37952
SMILES: COC(=O)CCC(CCC(=O)OC)C1=NCCC2=CC=CC=C21
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Product OPENEYE NAME: diethyl 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)heptanedioate
CAS Name: 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)heptanedioic acid diethyl ester
IUPAC NAME: diethyl 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)heptanedioate
SYSTEMATIC NAME: diethyl 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)heptanedioate
MOLECULAR FORMULA: C22H31NO6
MOLECULAR WEIGHT: 405.48464
SMILES: CCOC(=O)CCC(CCC(=O)OCC)C1=NCCC2=CC(=C(C=C21)OC)OC
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Product OPENEYE NAME: dimethyl 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)heptanedioate
CAS Name: 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)heptanedioic acid dimethyl ester
IUPAC NAME: dimethyl 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)heptanedioate
SYSTEMATIC NAME: dimethyl 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)heptanedioate
MOLECULAR FORMULA: C20H27NO6
MOLECULAR WEIGHT: 377.43148
SMILES: COC1=C(C=C2C(=C1)CCN=C2C(CCC(=O)OC)CCC(=O)OC)OC
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MOLECULAR FORMULA: C21H14N4O
MOLECULAR WEIGHT: 338.36206
SMILES: C1=CC=C2C(=C1)C=CC3=NC4=C(C=C32)[C@@H]([C@H](C5=CC=CC=C54)N=[N+]=[N-])O
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MOLECULAR FORMULA: C21H14N4O
MOLECULAR WEIGHT: 338.36206
SMILES: C1=CC=C2C(=C1)C=CC3=NC4=C(C=C32)C5=CC=CC=C5[C@H]([C@@H]4N=[N+]=[N-])O
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Product OPENEYE NAME: (5S,6S)-5-azido-5,6-dihydrobenzo[c]acridin-6-ol
CAS Name: (5S,6S)-5-azido-5,6-dihydrobenzo[c]acridin-6-ol
IUPAC NAME: (5S,6S)-5-azido-5,6-dihydrobenzo[c]acridin-6-ol
SYSTEMATIC NAME: (5S,6S)-5-azido-5,6-dihydrobenzo[c]acridin-6-ol
MOLECULAR FORMULA: C17H12N4O
MOLECULAR WEIGHT: 288.30338
SMILES: C1=CC=C2C(=C1)C=C3[C@@H]([C@H](C4=CC=CC=C4C3=N2)N=[N+]=[N-])O
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All Chemical Compounds Information




Product OPENEYE NAME:
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IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H15ClN2OS
MOLECULAR WEIGHT: 270.7783
SMILES: CC1=C(SC2=C1CN3CCCCC3C(=O)N2)Cl
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Product OPENEYE NAME: N-[(E)-(4-bromophenyl)methyleneamino]methanamine
CAS Name: N-[(E)-(4-bromophenyl)methylideneamino]methanamine
IUPAC NAME: N-[(E)-(4-bromophenyl)methylideneamino]methanamine
SYSTEMATIC NAME: N-[(E)-(4-bromophenyl)methylideneamino]methanamine
MOLECULAR FORMULA: C8H9BrN2
MOLECULAR WEIGHT: 213.07446
SMILES: CN/N=C/C1=CC=C(C=C1)Br
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Product OPENEYE NAME: N'-anilino-N-[(E)-(4-bromophenyl)methyleneamino]-N-methyl-benzamidine
CAS Name: N'-anilino-N-[(E)-(4-bromophenyl)methylideneamino]-N-methylbenzenecarboximidamide
IUPAC NAME: N'-anilino-N-[(E)-(4-bromophenyl)methylideneamino]-N-methylbenzenecarboximidamide
SYSTEMATIC NAME: N-[(E)-(4-bromophenyl)methylideneamino]-N-methyl-N'-phenylazanyl-benzenecarboximidamide
MOLECULAR FORMULA: C21H19BrN4
MOLECULAR WEIGHT: 407.30636
SMILES: CN(/C(=N\NC1=CC=CC=C1)/C2=CC=CC=C2)/N=C/C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 1-[6-(4-bromophenyl)-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazin-3-yl]ethanone
CAS Name: 1-[6-(4-bromophenyl)-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazin-3-yl]ethanone
IUPAC NAME: 1-[6-(4-bromophenyl)-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazin-3-yl]ethanone
SYSTEMATIC NAME: 1-[6-(4-bromophenyl)-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazin-3-yl]ethanone
MOLECULAR FORMULA: C17H17BrN4O
MOLECULAR WEIGHT: 373.24708
SMILES: CC(=O)C1=NN(C(NN1C)C2=CC=C(C=C2)Br)C3=CC=CC=C3
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Product OPENEYE NAME: N'-anilino-N-[(E)-(4-bromophenyl)methyleneamino]-N-methyl-2-oxo-propanamidine
CAS Name: N'-anilino-N-[(E)-(4-bromophenyl)methylideneamino]-N-methyl-2-oxopropanimidamide
IUPAC NAME: N'-anilino-N-[(E)-(4-bromophenyl)methylideneamino]-N-methyl-2-oxopropanimidamide
SYSTEMATIC NAME: N-[(E)-(4-bromophenyl)methylideneamino]-N-methyl-2-oxidanylidene-N'-phenylazanyl-propanimidamide
MOLECULAR FORMULA: C17H17BrN4O
MOLECULAR WEIGHT: 373.24708
SMILES: CC(=O)/C(=N/NC1=CC=CC=C1)/N(C)/N=C/C2=CC=C(C=C2)Br
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Product OPENEYE NAME: [(5E)-5-(3-oxoquinoxalin-2-ylidene)-2-phenyl-1H-pyrazol-3-yl]methyl acetate
CAS Name: acetic acid [(5E)-5-(3-oxo-2-quinoxalinylidene)-2-phenyl-1H-pyrazol-3-yl]methyl ester
IUPAC NAME: [(5E)-5-(3-oxoquinoxalin-2-ylidene)-2-phenyl-1H-pyrazol-3-yl]methyl acetate
SYSTEMATIC NAME: [(5E)-5-(3-oxidanylidenequinoxalin-2-ylidene)-2-phenyl-1H-pyrazol-3-yl]methyl ethanoate
MOLECULAR FORMULA: C20H16N4O3
MOLECULAR WEIGHT: 360.36604
SMILES: CC(=O)OCC1=C/C(=C\2/C(=O)N=C3C=CC=CC3=N2)/NN1C4=CC=CC=C4
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Product OPENEYE NAME: [5-(3-chloroquinoxalin-2-yl)-2-phenyl-pyrazol-3-yl]methyl acetate
CAS Name: acetic acid [5-(3-chloro-2-quinoxalinyl)-2-phenyl-3-pyrazolyl]methyl ester
IUPAC NAME: [5-(3-chloroquinoxalin-2-yl)-2-phenylpyrazol-3-yl]methyl acetate
SYSTEMATIC NAME: [5-(3-chloranylquinoxalin-2-yl)-2-phenyl-pyrazol-3-yl]methyl ethanoate
MOLECULAR FORMULA: C20H15ClN4O2
MOLECULAR WEIGHT: 378.8117
SMILES: CC(=O)OCC1=CC(=NN1C2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3Cl
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Product OPENEYE NAME:
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IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H10N2S2
MOLECULAR WEIGHT: 318.4154
SMILES: C1=CC=C2C(=C1)C=NC3=C2SC4=C(S3)C5=CC=CC=C5N=C4
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Product OPENEYE NAME: 6-fluoroisochromane-1,3-dione
CAS Name: 6-fluoro-3,4-dihydro-1H-2-benzopyran-1,3-dione
IUPAC NAME: 6-fluoro-4H-isochromene-1,3-dione
SYSTEMATIC NAME: 6-fluoranyl-4H-isochromene-1,3-dione
MOLECULAR FORMULA: C9H5FO3
MOLECULAR WEIGHT: 180.132603
SMILES: C1C2=C(C=CC(=C2)F)C(=O)OC1=O
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Product OPENEYE NAME: 6-chloroisochromane-1,3-dione
CAS Name: 6-chloro-3,4-dihydro-1H-2-benzopyran-1,3-dione
IUPAC NAME: 6-chloro-4H-isochromene-1,3-dione
SYSTEMATIC NAME: 6-chloranyl-4H-isochromene-1,3-dione
MOLECULAR FORMULA: C9H5ClO3
MOLECULAR WEIGHT: 196.5872
SMILES: C1C2=C(C=CC(=C2)Cl)C(=O)OC1=O
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Product OPENEYE NAME: 6-bromoisochromane-1,3-dione
CAS Name: 6-bromo-3,4-dihydro-1H-2-benzopyran-1,3-dione
IUPAC NAME: 6-bromo-4H-isochromene-1,3-dione
SYSTEMATIC NAME: 6-bromanyl-4H-isochromene-1,3-dione
MOLECULAR FORMULA: C9H5BrO3
MOLECULAR WEIGHT: 241.0382
SMILES: C1C2=C(C=CC(=C2)Br)C(=O)OC1=O
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Product OPENEYE NAME: 3,4-dihydro-2H-pyrano[2,3-b]quinoline
CAS Name: 3,4-dihydro-2H-pyrano[2,3-b]quinoline
IUPAC NAME: 3,4-dihydro-2H-pyrano[2,3-b]quinoline
SYSTEMATIC NAME: 3,4-dihydro-2H-pyrano[2,3-b]quinoline
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: C1CC2=CC3=CC=CC=C3N=C2OC1
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Product OPENEYE NAME: methyl 5-acetoxy-4-nitro-pentanoate
CAS Name: 5-acetyloxy-4-nitropentanoic acid methyl ester
IUPAC NAME: methyl 5-acetyloxy-4-nitropentanoate
SYSTEMATIC NAME: methyl 5-acetyloxy-4-nitro-pentanoate
MOLECULAR FORMULA: C8H13NO6
MOLECULAR WEIGHT: 219.19192
SMILES: CC(=O)OCC(CCC(=O)OC)[N+](=O)[O-]
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Product OPENEYE NAME: (4Z)-4-(dimethylaminomethylene)-2-(4-nitrophenyl)sulfanyl-oxazol-5-one
CAS Name: (4Z)-4-(dimethylaminomethylidene)-2-[(4-nitrophenyl)thio]-5-oxazolone
IUPAC NAME: (4Z)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)sulfanyl-1,3-oxazol-5-one
SYSTEMATIC NAME: (4Z)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)sulfanyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C12H11N3O4S
MOLECULAR WEIGHT: 293.29844
SMILES: CN(C)/C=C\1/C(=O)OC(=N1)SC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 3-amino-1,2,4-triazole-4-carboxylate
CAS Name: 3-amino-1,2,4-triazole-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-amino-1,2,4-triazole-4-carboxylate
SYSTEMATIC NAME: ethyl 3-azanyl-1,2,4-triazole-4-carboxylate
MOLECULAR FORMULA: C5H8N4O2
MOLECULAR WEIGHT: 156.14262
SMILES: CCOC(=O)N1C=NN=C1N
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Product OPENEYE NAME: [(2R,3R,4R,5S)-3-benzoyloxy-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-4-methoxy-tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5S)-3-benzoyloxy-5-[2,4-dioxo-5-(trifluoromethyl)-1-pyrimidinyl]-4-methoxy-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5S)-3-benzoyloxy-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-4-methoxyoxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5S)-5-[2,4-bis(oxidanylidene)-5-(trifluoromethyl)pyrimidin-1-yl]-4-methoxy-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C25H21F3N2O8
MOLECULAR WEIGHT: 534.43805
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: [(2R,3R,4R,5R)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5R)-3-benzoyloxy-5-(2,4-dioxo-1-pyrimidinyl)-4-methoxy-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5R)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-methoxy-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C24H22N2O8
MOLECULAR WEIGHT: 466.44008
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: [(2R,3R,4R,5S)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5S)-3-benzoyloxy-5-(2,4-dioxo-1-pyrimidinyl)-4-methoxy-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5S)-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5S)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-methoxy-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C24H22N2O8
MOLECULAR WEIGHT: 466.44008
SMILES: CO[C@@H]1[C@@H]([C@H](O[C@@H]1N2C=CC(=O)NC2=O)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: [(2R,3R,4R,5S)-3-benzoyloxy-4-methoxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate
CAS Name: benzoic acid [(2R,3R,4R,5S)-3-benzoyloxy-4-methoxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3R,4R,5S)-3-benzoyloxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [(2R,3R,4R,5S)-4-methoxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C25H24N2O8
MOLECULAR WEIGHT: 480.46666
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC
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All Chemical Compounds Information




Product OPENEYE NAME: N,N-dimethyl-2-[4-[5-(4-pyridyl)oxazol-2-yl]phenoxy]acetamide
CAS Name: N,N-dimethyl-2-[4-(5-pyridin-4-yl-2-oxazolyl)phenoxy]acetamide
IUPAC NAME: N,N-dimethyl-2-[4-(5-pyridin-4-yl-1,3-oxazol-2-yl)phenoxy]acetamide
SYSTEMATIC NAME: N,N-dimethyl-2-[4-(5-pyridin-4-yl-1,3-oxazol-2-yl)phenoxy]ethanamide
MOLECULAR FORMULA: C18H17N3O3
MOLECULAR WEIGHT: 323.34588
SMILES: CN(C)C(=O)COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=NC=C3
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Product OPENEYE NAME: 5-[1-[(4-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)oxazole
CAS Name: 5-[1-[(4-isothiocyanatophenyl)methyl]-4-pyridin-1-iumyl]-2-(4-methoxyphenyl)oxazole
IUPAC NAME: 5-[1-[(4-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole
SYSTEMATIC NAME: 5-[1-[(4-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole
MOLECULAR FORMULA: C23H18N3O2S+
MOLECULAR WEIGHT: 400.47292
SMILES: COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CC4=CC=C(C=C4)N=C=S
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Product OPENEYE NAME: 1-[4-[[4-[2-(4-methoxyphenyl)oxazol-5-yl]pyridin-1-ium-1-yl]methyl]phenyl]-3-propyl-thiourea
CAS Name: 1-[4-[[4-[2-(4-methoxyphenyl)-5-oxazolyl]-1-pyridin-1-iumyl]methyl]phenyl]-3-propylthiourea
IUPAC NAME: 1-[4-[[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]methyl]phenyl]-3-propylthiourea
SYSTEMATIC NAME: 1-[4-[[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]methyl]phenyl]-3-propyl-thiourea
MOLECULAR FORMULA: C26H27N4O2S+
MOLECULAR WEIGHT: 459.58318
SMILES: CCCNC(=S)NC1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CN=C(O3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: 5-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)oxazole
CAS Name: 5-[1-(2-isothiocyanatoethyl)-4-pyridin-1-iumyl]-2-(4-methoxyphenyl)oxazole
IUPAC NAME: 5-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole
SYSTEMATIC NAME: 5-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole
MOLECULAR FORMULA: C18H16N3O2S+
MOLECULAR WEIGHT: 338.40354
SMILES: COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CCN=C=S
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Product OPENEYE NAME: 5-[1-[2-(4-isothiocyanatophenoxy)ethyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)oxazole
CAS Name: 5-[1-[2-(4-isothiocyanatophenoxy)ethyl]-4-pyridin-1-iumyl]-2-(4-methoxyphenyl)oxazole
IUPAC NAME: 5-[1-[2-(4-isothiocyanatophenoxy)ethyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole
SYSTEMATIC NAME: 5-[1-[2-(4-isothiocyanatophenoxy)ethyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole
MOLECULAR FORMULA: C24H20N3O3S+
MOLECULAR WEIGHT: 430.4989
SMILES: COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CCOC4=CC=C(C=C4)N=C=S
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Product OPENEYE NAME: 1-[4-[2-[4-[2-(4-methoxyphenyl)oxazol-5-yl]pyridin-1-ium-1-yl]ethoxy]phenyl]-3-propyl-thiourea
CAS Name: 1-[4-[2-[4-[2-(4-methoxyphenyl)-5-oxazolyl]-1-pyridin-1-iumyl]ethoxy]phenyl]-3-propylthiourea
IUPAC NAME: 1-[4-[2-[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]ethoxy]phenyl]-3-propylthiourea
SYSTEMATIC NAME: 1-[4-[2-[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]ethoxy]phenyl]-3-propyl-thiourea
MOLECULAR FORMULA: C27H29N4O3S+
MOLECULAR WEIGHT: 489.60916
SMILES: CCCNC(=S)NC1=CC=C(C=C1)OCC[N+]2=CC=C(C=C2)C3=CN=C(O3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: (2,5-dioxopyrrolidin-1-yl) 3-[[4-[2-(4-methoxyphenyl)oxazol-5-yl]pyridin-1-ium-1-yl]methyl]benzoate
CAS Name: 3-[[4-[2-(4-methoxyphenyl)-5-oxazolyl]-1-pyridin-1-iumyl]methyl]benzoic acid (2,5-dioxo-1-pyrrolidinyl) ester
IUPAC NAME: (2,5-dioxopyrrolidin-1-yl) 3-[[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]methyl]benzoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 3-[[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]methyl]benzoate
MOLECULAR FORMULA: C27H22N3O6+
MOLECULAR WEIGHT: 484.48008
SMILES: COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CC4=CC=CC(=C4)C(=O)ON5C(=O)CCC5=O
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Product OPENEYE NAME: 1-[2-[4-[2-(4-methoxyphenyl)oxazol-5-yl]pyridin-1-ium-1-yl]ethyl]pyrrole-2,5-dione
CAS Name: 1-[2-[4-[2-(4-methoxyphenyl)-5-oxazolyl]-1-pyridin-1-iumyl]ethyl]pyrrole-2,5-dione
IUPAC NAME: 1-[2-[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]ethyl]pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[2-[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]ethyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C21H18N3O4+
MOLECULAR WEIGHT: 376.38532
SMILES: COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CCN4C(=O)C=CC4=O
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Product OPENEYE NAME: 1-[2-[4-[2-(4-methoxyphenyl)oxazol-5-yl]pyridin-1-ium-1-yl]ethyl]-3-propylsulfanyl-pyrrolidine-2,5-dione
CAS Name: 1-[2-[4-[2-(4-methoxyphenyl)-5-oxazolyl]-1-pyridin-1-iumyl]ethyl]-3-(propylthio)pyrrolidine-2,5-dione
IUPAC NAME: 1-[2-[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[2-[4-[2-(4-methoxyphenyl)-1,3-oxazol-5-yl]pyridin-1-ium-1-yl]ethyl]-3-propylsulfanyl-pyrrolidine-2,5-dione
MOLECULAR FORMULA: C24H26N3O4S+
MOLECULAR WEIGHT: 452.54594
SMILES: CCCSC1CC(=O)N(C1=O)CC[N+]2=CC=C(C=C2)C3=CN=C(O3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: 2-(2,5-dioxopyrrol-1-yl)ethyl trifluoromethanesulfonate
CAS Name: trifluoromethanesulfonic acid 2-(2,5-dioxo-1-pyrrolyl)ethyl ester
IUPAC NAME: 2-(2,5-dioxopyrrol-1-yl)ethyl trifluoromethanesulfonate
SYSTEMATIC NAME: 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C7H6F3NO5S
MOLECULAR WEIGHT: 273.18645
SMILES: C1=CC(=O)N(C1=O)CCOS(=O)(=O)C(F)(F)F
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Product OPENEYE NAME: 4-[5-(4-pyridyl)-3H-oxazol-2-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 4-(5-pyridin-4-yl-3H-oxazol-2-ylidene)-1-cyclohexa-2,5-dienone
IUPAC NAME: 4-(5-pyridin-4-yl-3H-1,3-oxazol-2-ylidene)cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-(5-pyridin-4-yl-3H-1,3-oxazol-2-ylidene)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C14H10N2O2
MOLECULAR WEIGHT: 238.2414
SMILES: C1=CC(=O)C=CC1=C2NC=C(O2)C3=CC=NC=C3
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Product OPENEYE NAME: N-(7-methoxy-3-nitroso-1,4-dihydroquinoxalin-2-yl)hydroxylamine
CAS Name: N-(7-methoxy-3-nitroso-1,4-dihydroquinoxalin-2-yl)hydroxylamine
IUPAC NAME: N-(7-methoxy-3-nitroso-1,4-dihydroquinoxalin-2-yl)hydroxylamine
SYSTEMATIC NAME: N-(7-methoxy-3-nitroso-1,4-dihydroquinoxalin-2-yl)hydroxylamine
MOLECULAR FORMULA: C9H10N4O3
MOLECULAR WEIGHT: 222.2007
SMILES: COC1=CC2=C(C=C1)NC(=C(N2)NO)N=O
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Product OPENEYE NAME: 6-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
CAS Name: 6-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
IUPAC NAME: 6-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
SYSTEMATIC NAME: 6-methyl-1-oxidanidyl-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
MOLECULAR FORMULA: C9H6N4O2
MOLECULAR WEIGHT: 202.16954
SMILES: CC1=CC2=NC3=NO[N+](=C3N=C2C=C1)[O-]
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Product OPENEYE NAME: 6-chloro-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
CAS Name: 6-chloro-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
IUPAC NAME: 6-chloro-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
SYSTEMATIC NAME: 6-chloranyl-1-oxidanidyl-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
MOLECULAR FORMULA: C8H3ClN4O2
MOLECULAR WEIGHT: 222.58802
SMILES: C1=CC2=NC3=[N+](ON=C3N=C2C=C1Cl)[O-]
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Product OPENEYE NAME: 6-methoxy-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
CAS Name: 6-methoxy-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
IUPAC NAME: 6-methoxy-1-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
SYSTEMATIC NAME: 6-methoxy-1-oxidanidyl-[1,2,5]oxadiazolo[3,4-b]quinoxalin-1-ium
MOLECULAR FORMULA: C9H6N4O3
MOLECULAR WEIGHT: 218.16894
SMILES: COC1=CC2=NC3=NO[N+](=C3N=C2C=C1)[O-]
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Product OPENEYE NAME: 6-methoxy-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium
CAS Name: 6-methoxy-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium
IUPAC NAME: 6-methoxy-3-oxido-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium
SYSTEMATIC NAME: 6-methoxy-3-oxidanidyl-[1,2,5]oxadiazolo[3,4-b]quinoxalin-3-ium
MOLECULAR FORMULA: C9H6N4O3
MOLECULAR WEIGHT: 218.16894
SMILES: COC1=CC2=NC3=[N+](ON=C3N=C2C=C1)[O-]
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Product OPENEYE NAME: 6-methoxy-[1,2,5]oxadiazolo[3,4-b]quinoxaline
CAS Name: 6-methoxy-[1,2,5]oxadiazolo[3,4-b]quinoxaline
IUPAC NAME: 6-methoxy-[1,2,5]oxadiazolo[3,4-b]quinoxaline
SYSTEMATIC NAME: 6-methoxy-[1,2,5]oxadiazolo[3,4-b]quinoxaline
MOLECULAR FORMULA: C9H6N4O2
MOLECULAR WEIGHT: 202.16954
SMILES: COC1=CC2=NC3=NON=C3N=C2C=C1
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H23N4-
MOLECULAR WEIGHT: 319.42342
SMILES: CC/C/1=C/NC2=CC=CC=C2[N-]CCCNC3=CC=CC=C3N=C1
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Product OPENEYE NAME: 6,8,9,10,11,11a-hexahydrobenzothiopheno[3,2-b]quinolizin-12-one oxime
CAS Name: 6,8,9,10,11,11a-hexahydro-[1]benzothiolo[3,2-b]quinolizin-12-one oxime
IUPAC NAME: (NE)-N-(6,8,9,10,11,11a-hexahydro-[1]benzothiolo[3,2-b]quinolizin-12-ylidene)hydroxylamine
SYSTEMATIC NAME: (NE)-N-(6,8,9,10,11,11a-hexahydro-[1]benzothiolo[3,2-b]quinolizin-12-ylidene)hydroxylamine
MOLECULAR FORMULA: C15H16N2OS
MOLECULAR WEIGHT: 272.36534
SMILES: C1CCN2CC3=C(C4=CC=CC=C4S3)/C(=N\O)/C2C1
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Product OPENEYE NAME: 2-chloro-3-methyl-4,6,7,8,9,9a-hexahydrothieno[2,3-b]quinolizin-10-one oxime
CAS Name: 2-chloro-3-methyl-4,6,7,8,9,9a-hexahydrothieno[2,3-b]quinolizin-10-one oxime
IUPAC NAME: (NE)-N-(2-chloro-3-methyl-4,6,7,8,9,9a-hexahydrothieno[2,3-b]quinolizin-10-ylidene)hydroxylamine
SYSTEMATIC NAME: (NE)-N-(2-chloranyl-3-methyl-4,6,7,8,9,9a-hexahydrothieno[2,3-b]quinolizin-10-ylidene)hydroxylamine
MOLECULAR FORMULA: C12H15ClN2OS
MOLECULAR WEIGHT: 270.7783
SMILES: CC1=C(SC\2=C1CN3CCCCC3/C2=N\O)Cl
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All Chemical Compounds Information




Product OPENEYE NAME: pent-4-yn-1-olate
CAS Name: 4-pentyn-1-olate
IUPAC NAME: pent-4-yn-1-olate
SYSTEMATIC NAME: pent-4-yn-1-olate
MOLECULAR FORMULA: C5H7O-
MOLECULAR WEIGHT: 83.10848
SMILES: C#CCCC[O-]
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Product OPENEYE NAME: 5-acetyl-2-(carboxymethyl)-1,4-dimethyl-pyrrole-3-carboxylic acid
CAS Name: 5-acetyl-2-(carboxymethyl)-1,4-dimethyl-3-pyrrolecarboxylic acid
IUPAC NAME: 5-acetyl-2-(carboxymethyl)-1,4-dimethylpyrrole-3-carboxylic acid
SYSTEMATIC NAME: 5-ethanoyl-2-(2-hydroxy-2-oxoethyl)-1,4-dimethyl-pyrrole-3-carboxylic acid
MOLECULAR FORMULA: C11H13NO5
MOLECULAR WEIGHT: 239.22462
SMILES: CC1=C(N(C(=C1C(=O)O)CC(=O)O)C)C(=O)C
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Product OPENEYE NAME: [2-[bis(2-chloroethyl)amino]phenyl] (1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepine-1-carboxylate
CAS Name: (1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepine-1-carboxylic acid [2-[bis(2-chloroethyl)amino]phenyl] ester
IUPAC NAME: [2-[bis(2-chloroethyl)amino]phenyl] (1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepine-1-carboxylate
SYSTEMATIC NAME: [2-[bis(2-chloroethyl)amino]phenyl] (1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxidanylidene-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepine-1-carboxylate
MOLECULAR FORMULA: C30H40Cl2N2O3
MOLECULAR WEIGHT: 547.5562
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)OC4=CC=CC=C4N(CCCl)CCCl)CCC5=CC(=O)NCC[C@]35C
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Product OPENEYE NAME: [3-[bis(2-chloroethyl)amino]phenyl] (1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepine-1-carboxylate
CAS Name: (1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepine-1-carboxylic acid [3-[bis(2-chloroethyl)amino]phenyl] ester
IUPAC NAME: [3-[bis(2-chloroethyl)amino]phenyl] (1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepine-1-carboxylate
SYSTEMATIC NAME: [3-[bis(2-chloroethyl)amino]phenyl] (1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxidanylidene-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepine-1-carboxylate
MOLECULAR FORMULA: C30H40Cl2N2O3
MOLECULAR WEIGHT: 547.5562
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)OC4=CC=CC(=C4)N(CCCl)CCCl)CCC5=CC(=O)NCC[C@]35C
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Product OPENEYE NAME: [4-[bis(2-chloroethyl)amino]phenyl] (1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepine-1-carboxylate
CAS Name: (1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepine-1-carboxylic acid [4-[bis(2-chloroethyl)amino]phenyl] ester
IUPAC NAME: [4-[bis(2-chloroethyl)amino]phenyl] (1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepine-1-carboxylate
SYSTEMATIC NAME: [4-[bis(2-chloroethyl)amino]phenyl] (1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxidanylidene-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepine-1-carboxylate
MOLECULAR FORMULA: C30H40Cl2N2O3
MOLECULAR WEIGHT: 547.5562
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)OC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=CC(=O)NCC[C@]35C
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Product OPENEYE NAME: [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate
CAS Name: 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] ester
IUPAC NAME: [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 3-[bis(2-chloroethyl)amino]-4-methylbenzoate
SYSTEMATIC NAME: [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxidanylidene-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 3-[bis(2-chloroethyl)amino]-4-methyl-benzoate
MOLECULAR FORMULA: C31H44Cl2N2O3
MOLECULAR WEIGHT: 563.59866
SMILES: CC1=C(C=C(C=C1)C(=O)O[C@@H]2CC[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CCC(=O)N5)C)C)N(CCCl)CCCl
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Product OPENEYE NAME: [3-[bis(2-chloroethyl)amino]-4-methyl-phenyl] (1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepine-1-carboxylate
CAS Name: (1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepine-1-carboxylic acid [3-[bis(2-chloroethyl)amino]-4-methylphenyl] ester
IUPAC NAME: [3-[bis(2-chloroethyl)amino]-4-methylphenyl] (1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepine-1-carboxylate
SYSTEMATIC NAME: [3-[bis(2-chloroethyl)amino]-4-methyl-phenyl] (1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxidanylidene-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepine-1-carboxylate
MOLECULAR FORMULA: C31H42Cl2N2O3
MOLECULAR WEIGHT: 561.58278
SMILES: CC1=C(C=C(C=C1)OC(=O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)NCC[C@]45C)C)N(CCCl)CCCl
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Product OPENEYE NAME: [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[bis(2-chloroethyl)amino]benzoate
CAS Name: 2-[bis(2-chloroethyl)amino]benzoic acid [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] ester
IUPAC NAME: [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[bis(2-chloroethyl)amino]benzoate
SYSTEMATIC NAME: [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxidanylidene-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[bis(2-chloroethyl)amino]benzoate
MOLECULAR FORMULA: C30H42Cl2N2O3
MOLECULAR WEIGHT: 549.57208
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)C5=CC=CC=C5N(CCCl)CCCl
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Product OPENEYE NAME: [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 3-[bis(2-chloroethyl)amino]benzoate
CAS Name: 3-[bis(2-chloroethyl)amino]benzoic acid [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] ester
IUPAC NAME: [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 3-[bis(2-chloroethyl)amino]benzoate
SYSTEMATIC NAME: [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxidanylidene-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 3-[bis(2-chloroethyl)amino]benzoate
MOLECULAR FORMULA: C30H42Cl2N2O3
MOLECULAR WEIGHT: 549.57208
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)C5=CC(=CC=C5)N(CCCl)CCCl
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Product OPENEYE NAME: [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[bis(2-chloroethyl)amino]benzoate
CAS Name: 4-[bis(2-chloroethyl)amino]benzoic acid [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] ester
IUPAC NAME: [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[bis(2-chloroethyl)amino]benzoate
SYSTEMATIC NAME: [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxidanylidene-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[bis(2-chloroethyl)amino]benzoate
MOLECULAR FORMULA: C30H42Cl2N2O3
MOLECULAR WEIGHT: 549.57208
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)C5=CC=C(C=C5)N(CCCl)CCCl
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Product OPENEYE NAME: (4aS,4bR,8S,10aR,10bS,12aS)-8-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-2-one
CAS Name: (4aS,4bR,8S,10aR,10bS,12aS)-8-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-2-one
IUPAC NAME: (4aS,4bR,8S,10aR,10bS,12aS)-8-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-2-one
SYSTEMATIC NAME: (4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-8-oxidanyl-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-2-one
MOLECULAR FORMULA: C19H29NO2
MOLECULAR WEIGHT: 303.43906
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)O
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Product OPENEYE NAME: (4aS,4bR,6aS,8R,10aS,10bS,12aS)-8-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-2-one
CAS Name: (4aS,4bR,6aS,8R,10aS,10bS,12aS)-8-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-2-one
IUPAC NAME: (4aS,4bR,6aS,8R,10aS,10bS,12aS)-8-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-2-one
SYSTEMATIC NAME: (4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-8-oxidanyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-2-one
MOLECULAR FORMULA: C19H31NO2
MOLECULAR WEIGHT: 305.45494
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)O
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MOLECULAR FORMULA: C12H12N4O2
MOLECULAR WEIGHT: 244.24928
SMILES: CC1=C(C(=O)N2CNC3C2=C1C(=O)NCC3)C#N
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IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H11N3O3
MOLECULAR WEIGHT: 245.23404
SMILES: CC1=C(C(=O)N2CNC3C2=C1C(=O)OCC3)C#N
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Product OPENEYE NAME: N-pyrrol-1-ylethanimine
CAS Name: N-(1-pyrrolyl)ethanimine
IUPAC NAME: N-pyrrol-1-ylethanimine
SYSTEMATIC NAME: N-pyrrol-1-ylethanimine
MOLECULAR FORMULA: C6H8N2
MOLECULAR WEIGHT: 108.14112
SMILES: C/C=N/N1C=CC=C1
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Product OPENEYE NAME: 2-methylsulfanylimidazol-1-amine
CAS Name: 2-(methylthio)-1-imidazolamine
IUPAC NAME: 2-methylsulfanylimidazol-1-amine
SYSTEMATIC NAME: 2-methylsulfanylimidazol-1-amine
MOLECULAR FORMULA: C4H7N3S
MOLECULAR WEIGHT: 129.18348
SMILES: CSC1=NC=CN1N
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Product OPENEYE NAME: N-(2-methylsulfanylimidazol-1-yl)ethanimine
CAS Name: N-[2-(methylthio)-1-imidazolyl]ethanimine
IUPAC NAME: N-(2-methylsulfanylimidazol-1-yl)ethanimine
SYSTEMATIC NAME: N-(2-methylsulfanylimidazol-1-yl)ethanimine
MOLECULAR FORMULA: C6H9N3S
MOLECULAR WEIGHT: 155.22076
SMILES: C/C=N/N1C=CN=C1SC
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Product OPENEYE NAME: N-[2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-3,4,5-trimethoxy-benzamide
CAS Name: N-[2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
IUPAC NAME: N-[2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
SYSTEMATIC NAME: 3,4,5-trimethoxy-N-[2-oxidanyl-2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
MOLECULAR FORMULA: C21H27NO8
MOLECULAR WEIGHT: 421.44098
SMILES: COC1=CC(=CC(=C1OC)OC)C(CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)O
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Product OPENEYE NAME: (5-methoxy-5-oxo-1-phenyl-pentyl) 4-bromobenzoate
CAS Name: 4-bromobenzoic acid (5-methoxy-5-oxo-1-phenylpentyl) ester
IUPAC NAME: (5-methoxy-5-oxo-1-phenylpentyl) 4-bromobenzoate
SYSTEMATIC NAME: (5-methoxy-5-oxidanylidene-1-phenyl-pentyl) 4-bromanylbenzoate
MOLECULAR FORMULA: C19H19BrO4
MOLECULAR WEIGHT: 391.25576
SMILES: COC(=O)CCCC(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)Br
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Product OPENEYE NAME: 1-methyl-3-[(1-methyl-4-thioxo-3-quinolyl)sulfanyl]quinoline-4-thione
CAS Name: 1-methyl-3-[(1-methyl-4-sulfanylidene-3-quinolinyl)thio]-4-quinolinethione
IUPAC NAME: 1-methyl-3-(1-methyl-4-sulfanylidenequinolin-3-yl)sulfanylquinoline-4-thione
SYSTEMATIC NAME: 1-methyl-3-(1-methyl-4-sulfanylidene-quinolin-3-yl)sulfanyl-quinoline-4-thione
MOLECULAR FORMULA: C20H16N2S3
MOLECULAR WEIGHT: 380.54944
SMILES: CN1C=C(C(=S)C2=CC=CC=C21)SC3=CN(C4=CC=CC=C4C3=S)C
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Product OPENEYE NAME: 3-[(4-methylsulfanyl-3-quinolyl)sulfanyl]quinoline-4-thiolate
CAS Name: 3-[[4-(methylthio)-3-quinolinyl]thio]-4-quinolinethiolate
IUPAC NAME: 3-(4-methylsulfanylquinolin-3-yl)sulfanylquinoline-4-thiolate
SYSTEMATIC NAME: 3-(4-methylsulfanylquinolin-3-yl)sulfanylquinoline-4-thiolate
MOLECULAR FORMULA: C19H13N2S3-
MOLECULAR WEIGHT: 365.51492
SMILES: CSC1=C(C=NC2=CC=CC=C21)SC3=C(C4=CC=CC=C4N=C3)[S-]
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Product OPENEYE NAME: 6-(trifluoromethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CAS Name: 6-(trifluoromethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
IUPAC NAME: 6-(trifluoromethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SYSTEMATIC NAME: 6-(trifluoromethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
MOLECULAR FORMULA: C7H8F3N3
MOLECULAR WEIGHT: 191.15373
SMILES: C1C(NCC2=C1N=CN2)C(F)(F)F
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Product OPENEYE NAME: 4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CAS Name: 4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
IUPAC NAME: 4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SYSTEMATIC NAME: 4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
MOLECULAR FORMULA: C8H7F6N3
MOLECULAR WEIGHT: 259.151699
SMILES: C1C(NC(C2=C1NC=N2)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 2-(4-methoxyphenyl)-5-[1-(oxiran-2-ylmethyl)pyridin-1-ium-4-yl]oxazole
CAS Name: 2-(4-methoxyphenyl)-5-[1-(2-oxiranylmethyl)-4-pyridin-1-iumyl]oxazole
IUPAC NAME: 2-(4-methoxyphenyl)-5-[1-(oxiran-2-ylmethyl)pyridin-1-ium-4-yl]-1,3-oxazole
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-5-[1-(oxiran-2-ylmethyl)pyridin-1-ium-4-yl]-1,3-oxazole
MOLECULAR FORMULA: C18H17N2O3+
MOLECULAR WEIGHT: 309.33918
SMILES: COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CC4CO4
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All Chemical Compounds Information




Product OPENEYE NAME: 7-(4-bromophenyl)-1-[(2R,3R,4R,5R)-3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-yl]thieno[3,2-d]pyrimidine-2,4-dione
CAS Name: 1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-oxolanyl]-7-(4-bromophenyl)thieno[3,2-d]pyrimidine-2,4-dione
IUPAC NAME: 1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-7-(4-bromophenyl)thieno[3,2-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-7-(4-bromophenyl)thieno[3,2-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C38H33BrN2O6S
MOLECULAR WEIGHT: 725.64742
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)NC3=O)SC=C4C5=CC=C(C=C5)Br)OCC6=CC=CC=C6)OCC7=CC=CC=C7
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Product OPENEYE NAME: 3-(2-phenylethyl)-3-azabicyclo[3.2.1]octan-8-one
CAS Name: 3-(2-phenylethyl)-3-azabicyclo[3.2.1]octan-8-one
IUPAC NAME: 3-(2-phenylethyl)-3-azabicyclo[3.2.1]octan-8-one
SYSTEMATIC NAME: 3-(2-phenylethyl)-3-azabicyclo[3.2.1]octan-8-one
MOLECULAR FORMULA: C15H19NO
MOLECULAR WEIGHT: 229.31746
SMILES: C1CC2CN(CC1C2=O)CCC3=CC=CC=C3
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Product OPENEYE NAME: N-[(Z)-benzylideneamino]-N-methyl-carbamoyl chloride
CAS Name: N-methyl-N-[(Z)-(phenylmethylene)amino]carbamoyl chloride
IUPAC NAME: N-[(Z)-benzylideneamino]-N-methylcarbamoyl chloride
SYSTEMATIC NAME: N-methyl-N-[(Z)-(phenylmethylidene)amino]carbamoyl chloride
MOLECULAR FORMULA: C9H9ClN2O
MOLECULAR WEIGHT: 196.63356
SMILES: CN(C(=O)Cl)/N=C\C1=CC=CC=C1
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Product OPENEYE NAME: 3-amino-1-[(Z)-benzylideneamino]-1-phenyl-urea
CAS Name: 3-amino-1-phenyl-1-[(Z)-(phenylmethylene)amino]urea
IUPAC NAME: 3-amino-1-[(Z)-benzylideneamino]-1-phenylurea
SYSTEMATIC NAME: 3-azanyl-1-phenyl-1-[(Z)-(phenylmethylidene)amino]urea
MOLECULAR FORMULA: C14H14N4O
MOLECULAR WEIGHT: 254.28716
SMILES: C1=CC=C(C=C1)/C=N\N(C2=CC=CC=C2)C(=O)NN
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Product OPENEYE NAME: 1-[(E)-benzylideneamino]-3-[(Z)-benzylideneamino]-1-phenyl-urea
CAS Name: 1-phenyl-1-[(E)-(phenylmethylene)amino]-3-[(Z)-(phenylmethylene)amino]urea
IUPAC NAME: 1-[(E)-benzylideneamino]-3-[(Z)-benzylideneamino]-1-phenylurea
SYSTEMATIC NAME: 1-phenyl-1-[(E)-(phenylmethylidene)amino]-3-[(Z)-(phenylmethylidene)amino]urea
MOLECULAR FORMULA: C21H18N4O
MOLECULAR WEIGHT: 342.39382
SMILES: C1=CC=C(C=C1)/C=N\NC(=O)N(C2=CC=CC=C2)/N=C/C3=CC=CC=C3
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Product OPENEYE NAME: 5-fluoro-1-[(E)-styryl]sulfonyl-pyrimidine-2,4-dione
CAS Name: 5-fluoro-1-[(E)-2-phenylethenyl]sulfonylpyrimidine-2,4-dione
IUPAC NAME: 5-fluoro-1-[(E)-2-phenylethenyl]sulfonylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[(E)-2-phenylethenyl]sulfonyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H9FN2O4S
MOLECULAR WEIGHT: 296.274263
SMILES: C1=CC=C(C=C1)/C=C/S(=O)(=O)N2C=C(C(=O)NC2=O)F
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Product OPENEYE NAME: 4-(pyrrol-1-ylmethyl)thiophene-3-carbonyl chloride
CAS Name: 4-(1-pyrrolylmethyl)-3-thiophenecarbonyl chloride
IUPAC NAME: 4-(pyrrol-1-ylmethyl)thiophene-3-carbonyl chloride
SYSTEMATIC NAME: 4-(pyrrol-1-ylmethyl)thiophene-3-carbonyl chloride
MOLECULAR FORMULA: C10H8ClNOS
MOLECULAR WEIGHT: 225.69462
SMILES: C1=CN(C=C1)CC2=CSC=C2C(=O)Cl
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Product OPENEYE NAME: 4-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl chloride
CAS Name: 4-[(2-formyl-1-pyrrolyl)methyl]-3-thiophenecarbonyl chloride
IUPAC NAME: 4-[(2-formylpyrrol-1-yl)methyl]thiophene-3-carbonyl chloride
SYSTEMATIC NAME: 4-[(2-methanoylpyrrol-1-yl)methyl]thiophene-3-carbonyl chloride
MOLECULAR FORMULA: C11H8ClNO2S
MOLECULAR WEIGHT: 253.70472
SMILES: C1=CN(C(=C1)C=O)CC2=CSC=C2C(=O)Cl
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Product OPENEYE NAME: N-[(5E)-5-[amino(cyano)methylene]-3-benzyl-imidazol-4-ylidene]acetamide
CAS Name: N-[(5E)-5-[amino(cyano)methylidene]-3-(phenylmethyl)-4-imidazolylidene]acetamide
IUPAC NAME: N-[(5E)-5-[amino(cyano)methylidene]-3-benzylimidazol-4-ylidene]acetamide
SYSTEMATIC NAME: N-[(5E)-5-[azanyl(cyano)methylidene]-3-(phenylmethyl)imidazol-4-ylidene]ethanamide
MOLECULAR FORMULA: C14H13N5O
MOLECULAR WEIGHT: 267.28592
SMILES: CC(=O)N=C1/C(=C(/C#N)\N)/N=CN1CC2=CC=CC=C2
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Product OPENEYE NAME: (2E)-2-amino-2-(1-benzyl-5-imino-imidazol-4-ylidene)acetonitrile
CAS Name: (2E)-2-amino-2-[5-imino-1-(phenylmethyl)-4-imidazolylidene]acetonitrile
IUPAC NAME: (2E)-2-amino-2-(1-benzyl-5-iminoimidazol-4-ylidene)acetonitrile
SYSTEMATIC NAME: (2E)-2-azanyl-2-[5-azanylidene-1-(phenylmethyl)imidazol-4-ylidene]ethanenitrile
MOLECULAR FORMULA: C12H11N5
MOLECULAR WEIGHT: 225.24924
SMILES: C1=CC=C(C=C1)CN2C=N/C(=C(\C#N)/N)/C2=N
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Product OPENEYE NAME: 2-acetyl-9-benzyl-2-methyl-1H-purine-6-carboxamide
CAS Name: 2-acetyl-2-methyl-9-(phenylmethyl)-1H-purine-6-carboxamide
IUPAC NAME: 2-acetyl-9-benzyl-2-methyl-1H-purine-6-carboxamide
SYSTEMATIC NAME: 2-ethanoyl-2-methyl-9-(phenylmethyl)-1H-purine-6-carboxamide
MOLECULAR FORMULA: C16H17N5O2
MOLECULAR WEIGHT: 311.33848
SMILES: CC(=O)C1(NC(=C2C(=N1)N(C=N2)CC3=CC=CC=C3)C(=O)N)C
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Product OPENEYE NAME: but-3-yn-1-olate
CAS Name: 3-butyn-1-olate
IUPAC NAME: but-3-yn-1-olate
SYSTEMATIC NAME: but-3-yn-1-olate
MOLECULAR FORMULA: C4H5O-
MOLECULAR WEIGHT: 69.0819
SMILES: C#CCC[O-]
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Product OPENEYE NAME: pent-3-yn-1-olate
CAS Name: 3-pentyn-1-olate
IUPAC NAME: pent-3-yn-1-olate
SYSTEMATIC NAME: pent-3-yn-1-olate
MOLECULAR FORMULA: C5H7O-
MOLECULAR WEIGHT: 83.10848
SMILES: CC#CCC[O-]
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