Product OPENEYE NAME: 5-[(E)-3,3-dimethylbut-1-enyl]-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
CAS Name: 5-[(E)-3,3-dimethylbut-1-enyl]-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
IUPAC NAME: 5-[(E)-3,3-dimethylbut-1-enyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(E)-3,3-dimethylbut-1-enyl]-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C15H22N2O5
MOLECULAR WEIGHT: 310.34558
SMILES: CC(C)(C)/C=C/C1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
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Product OPENEYE NAME: 2-(4-bromo-2-formyl-phenyl)sulfanyl-N,N-dimethyl-benzamide
CAS Name: 2-[(4-bromo-2-formylphenyl)thio]-N,N-dimethylbenzamide
IUPAC NAME: 2-(4-bromo-2-formylphenyl)sulfanyl-N,N-dimethylbenzamide
SYSTEMATIC NAME: 2-(4-bromanyl-2-methanoyl-phenyl)sulfanyl-N,N-dimethyl-benzamide
MOLECULAR FORMULA: C16H14BrNO2S
MOLECULAR WEIGHT: 364.25686
SMILES: CN(C)C(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)Br)C=O
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Product OPENEYE NAME: 2-[(3S,6S,9E,12S,15S,18S,21S,24R,27S)-18-(4-aminobutyl)-15,24-bis(2-aminoethyl)-3-(2-chloro-1-hydroxy-ethyl)-6-[(1S)-2-(ethylamino)-1-hydroxy-2-oxo-ethyl]-9-ethylidene-12-(1-hydroxyethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-
CAS Name: 2-[(3S,6S,9E,12S,15S,18S,21S,24R,27S)-18-(4-aminobutyl)-15,24-bis(2-aminoethyl)-3-(2-chloro-1-hydroxyethyl)-6-[(1S)-2-(ethylamino)-1-hydroxy-2-oxoethyl]-9-ethylidene-12-(1-hydroxyethyl)-27-[(3-hydroxy-1-oxotetradecyl)amino]-2,5,8,11,14,17,20,23,26-nonaoxo
IUPAC NAME: 2-[(3S,6S,9E,12S,15S,18S,21S,24R,27S)-18-(4-aminobutyl)-15,24-bis(2-aminoethyl)-3-(2-chloro-1-hydroxyethyl)-6-[(1S)-2-(ethylamino)-1-hydroxy-2-oxoethyl]-9-ethylidene-12-(1-hydroxyethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-ox
SYSTEMATIC NAME: 2-[(3S,6S,9E,12S,15S,18S,21S,24R,27S)-18-(4-azanylbutyl)-15,24-bis(2-azanylethyl)-3-(2-chloranyl-1-oxidanyl-ethyl)-6-[(1S)-2-(ethylamino)-1-oxidanyl-2-oxidanylidene-ethyl]-9-ethylidene-12-(1-hydroxyethyl)-2,5,8,11,14,17,20,23,26-nonakis(oxidanylidene)-27-
MOLECULAR FORMULA: C53H92ClN13O18
MOLECULAR WEIGHT: 1234.82688
SMILES: CCCCCCCCCCCC(CC(=O)N[C@H]1COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)/C(=C\C)/NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCN)CC(=O)O)CCCCN)CCN)C(C)O)[C@@H](C(=O)NCC)O)C(CCl)O)O
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Product OPENEYE NAME: (2R)-2-[(E)-2-(9,10-dihydroanthracen-9-yl)vinyl]-1-methyl-piperidine
CAS Name: (2R)-2-[(E)-2-(9,10-dihydroanthracen-9-yl)ethenyl]-1-methylpiperidine
IUPAC NAME: (2R)-2-[(E)-2-(9,10-dihydroanthracen-9-yl)ethenyl]-1-methylpiperidine
SYSTEMATIC NAME: (2R)-2-[(E)-2-(9,10-dihydroanthracen-9-yl)ethenyl]-1-methyl-piperidine
MOLECULAR FORMULA: C22H25N
MOLECULAR WEIGHT: 303.4406
SMILES: CN1CCCC[C@@H]1/C=C/C2C3=CC=CC=C3CC4=CC=CC=C24
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Product OPENEYE NAME: 2-[(E)-2-(9,9a-dihydro-4aH-xanthen-9-yl)vinyl]-1-methyl-piperidine
CAS Name: 2-[(E)-2-(9,9a-dihydro-4aH-xanthen-9-yl)ethenyl]-1-methylpiperidine
IUPAC NAME: 2-[(E)-2-(9,9a-dihydro-4aH-xanthen-9-yl)ethenyl]-1-methylpiperidine
SYSTEMATIC NAME: 2-[(E)-2-(9,9a-dihydro-4aH-xanthen-9-yl)ethenyl]-1-methyl-piperidine
MOLECULAR FORMULA: C21H25NO
MOLECULAR WEIGHT: 307.4293
SMILES: CN1CCCCC1/C=C/C2C3C=CC=CC3OC4=CC=CC=C24
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Product OPENEYE NAME: 2-[3-(10H-anthracen-9-ylidene)propyl]-1-methyl-piperidine
CAS Name: 2-[3-(10H-anthracen-9-ylidene)propyl]-1-methylpiperidine
IUPAC NAME: 2-[3-(10H-anthracen-9-ylidene)propyl]-1-methylpiperidine
SYSTEMATIC NAME: 2-[3-(10H-anthracen-9-ylidene)propyl]-1-methyl-piperidine
MOLECULAR FORMULA: C23H27N
MOLECULAR WEIGHT: 317.46718
SMILES: CN1CCCCC1CCC=C2C3=CC=CC=C3CC4=CC=CC=C42
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Product OPENEYE NAME: 2-[(E)-2-(9,10-dihydroanthracen-9-yl)vinyl]-1-methyl-piperidine
CAS Name: 2-[(E)-2-(9,10-dihydroanthracen-9-yl)ethenyl]-1-methylpiperidine
IUPAC NAME: 2-[(E)-2-(9,10-dihydroanthracen-9-yl)ethenyl]-1-methylpiperidine
SYSTEMATIC NAME: 2-[(E)-2-(9,10-dihydroanthracen-9-yl)ethenyl]-1-methyl-piperidine
MOLECULAR FORMULA: C22H25N
MOLECULAR WEIGHT: 303.4406
SMILES: CN1CCCCC1/C=C/C2C3=CC=CC=C3CC4=CC=CC=C24
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Product OPENEYE NAME: 5-[(3,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methyl]-4-methyl-isothiazole
CAS Name: 5-[(3,4-dimethylphenyl)-(4-methyl-1-piperazinyl)methyl]-4-methylisothiazole
IUPAC NAME: 5-[(3,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methyl]-4-methyl-1,2-thiazole
SYSTEMATIC NAME: 5-[(3,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methyl]-4-methyl-1,2-thiazole
MOLECULAR FORMULA: C18H25N3S
MOLECULAR WEIGHT: 315.4762
SMILES: CC1=C(C=C(C=C1)C(C2=C(C=NS2)C)N3CCN(CC3)C)C
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Product OPENEYE NAME:
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IUPAC NAME:
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MOLECULAR FORMULA: C20H32O7
MOLECULAR WEIGHT: 384.46388
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(C)CC(=O)OC)C
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Product OPENEYE NAME: (2S)-2-[(E)-2-(9,10-dihydroanthracen-9-yl)vinyl]-1-methyl-piperidine
CAS Name: (2S)-2-[(E)-2-(9,10-dihydroanthracen-9-yl)ethenyl]-1-methylpiperidine
IUPAC NAME: (2S)-2-[(E)-2-(9,10-dihydroanthracen-9-yl)ethenyl]-1-methylpiperidine
SYSTEMATIC NAME: (2S)-2-[(E)-2-(9,10-dihydroanthracen-9-yl)ethenyl]-1-methyl-piperidine
MOLECULAR FORMULA: C22H25N
MOLECULAR WEIGHT: 303.4406
SMILES: CN1CCCC[C@H]1/C=C/C2C3=CC=CC=C3CC4=CC=CC=C24
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Product OPENEYE NAME: 2-[(E)-3-(9,10-dihydroanthracen-9-yl)allyl]-1-methyl-piperidine
CAS Name: 2-[(E)-3-(9,10-dihydroanthracen-9-yl)prop-2-enyl]-1-methylpiperidine
IUPAC NAME: 2-[(E)-3-(9,10-dihydroanthracen-9-yl)prop-2-enyl]-1-methylpiperidine
SYSTEMATIC NAME: 2-[(E)-3-(9,10-dihydroanthracen-9-yl)prop-2-enyl]-1-methyl-piperidine
MOLECULAR FORMULA: C23H27N
MOLECULAR WEIGHT: 317.46718
SMILES: CN1CCCCC1C/C=C/C2C3=CC=CC=C3CC4=CC=CC=C24
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Product OPENEYE NAME: N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-2-methyl-pyrazole-3-carboxamide
CAS Name: N-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-5-[[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]amino]-2-methyl-3-pyrazolecarboxamide
IUPAC NAME: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-2-methylpyrazole-3-carboxamide
SYSTEMATIC NAME: N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-2-methyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C31H37Cl2N11O4
MOLECULAR WEIGHT: 698.60278
SMILES: CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=NN3C)NC(=O)C4=CC=C(C=C4)N(CCCl)CCCl
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Product OPENEYE NAME: 6-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-oxo-pyridine-3-carboxylic acid
CAS Name: 6-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-oxo-3-pyridinecarboxylic acid
IUPAC NAME: 6-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-oxopyridine-3-carboxylic acid
SYSTEMATIC NAME: 6-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-oxidanylidene-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C24H23NO5
MOLECULAR WEIGHT: 405.44312
SMILES: CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O
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Product OPENEYE NAME: 2-[(E)-2-(9-anthryl)vinyl]-1-methyl-piperidine
CAS Name: 2-[(E)-2-(9-anthracenyl)ethenyl]-1-methylpiperidine
IUPAC NAME: 2-[(E)-2-anthracen-9-ylethenyl]-1-methylpiperidine
SYSTEMATIC NAME: 2-[(E)-2-anthracen-9-ylethenyl]-1-methyl-piperidine
MOLECULAR FORMULA: C22H23N
MOLECULAR WEIGHT: 301.42472
SMILES: CN1CCCCC1/C=C/C2=C3C=CC=CC3=CC4=CC=CC=C42
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Product OPENEYE NAME: [4-[(4-isopropylphenyl)-(3-methylisothiazol-5-yl)methyl]piperazin-1-yl]-phenyl-methanone
CAS Name: [4-[(3-methyl-5-isothiazolyl)-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]-phenylmethanone
IUPAC NAME: [4-[(3-methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone
SYSTEMATIC NAME: [4-[(3-methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-phenyl-methanone
MOLECULAR FORMULA: C25H29N3OS
MOLECULAR WEIGHT: 419.58226
SMILES: CC1=NSC(=C1)C(C2=CC=C(C=C2)C(C)C)N3CCN(CC3)C(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 5-[(4-isopropylphenyl)-(4-methylsulfonylpiperazin-1-yl)methyl]-3-methyl-isothiazole
CAS Name: 3-methyl-5-[(4-methylsulfonyl-1-piperazinyl)-(4-propan-2-ylphenyl)methyl]isothiazole
IUPAC NAME: 3-methyl-5-[(4-methylsulfonylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
SYSTEMATIC NAME: 3-methyl-5-[(4-methylsulfonylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
MOLECULAR FORMULA: C19H27N3O2S2
MOLECULAR WEIGHT: 393.56658
SMILES: CC1=NSC(=C1)C(C2=CC=C(C=C2)C(C)C)N3CCN(CC3)S(=O)(=O)C
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Product OPENEYE NAME: 5-[(3,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-isothiazole
CAS Name: 5-[(3,4-dimethoxyphenyl)-(4-methyl-1-piperazinyl)methyl]-3-methylisothiazole
IUPAC NAME: 5-[(3,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
SYSTEMATIC NAME: 5-[(3,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
MOLECULAR FORMULA: C18H25N3O2S
MOLECULAR WEIGHT: 347.475
SMILES: CC1=NSC(=C1)C(C2=CC(=C(C=C2)OC)OC)N3CCN(CC3)C
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