All Chemical Compounds

Wednesday, November 30, 2011

All Chemical Compounds Information

Product OPENEYE NAME: tert-butyl (2S,3S,4R)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenyl-pyrrolidine-1-carboxylate
CAS Name: (2S,3S,4R)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenyl-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (2S,3S,4R)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S,3S,4R)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenyl-pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C26H29F6NO4
MOLECULAR WEIGHT: 533.503179
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2[C@@H](CN([C@H]2CO)C(=O)OC(C)(C)C)C3=CC=CC=C3
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Product OPENEYE NAME: tert-butyl (2S,3S,4R)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CAS Name: (2S,3S,4R)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-2-(hydroxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (2S,3S,4R)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S,3S,4R)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C26H28F7NO4
MOLECULAR WEIGHT: 551.493642
SMILES: C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2[C@@H](CN([C@H]2CO)C(=O)OC(C)(C)C)C3=CC=C(C=C3)F
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Product OPENEYE NAME: N-[2-(4-chlorophenyl)ethyl]-6-hydroxy-naphthalene-2-carboxamide
CAS Name: N-[2-(4-chlorophenyl)ethyl]-6-hydroxy-2-naphthalenecarboxamide
IUPAC NAME: N-[2-(4-chlorophenyl)ethyl]-6-hydroxynaphthalene-2-carboxamide
SYSTEMATIC NAME: N-[2-(4-chlorophenyl)ethyl]-6-oxidanyl-naphthalene-2-carboxamide
MOLECULAR FORMULA: C19H16ClNO2
MOLECULAR WEIGHT: 325.78884
SMILES: C1=CC(=CC=C1CCNC(=O)C2=CC3=C(C=C2)C=C(C=C3)O)Cl
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Product OPENEYE NAME: 3-(6-chlorobenzothiophen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridyl)-4-piperidyl]propanamide
CAS Name: 3-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-N-methyl-N-[1-(2-methyl-4-pyridinyl)-4-piperidinyl]propanamide
IUPAC NAME: 3-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-N-methyl-N-[1-(2-methylpyridin-4-yl)piperidin-4-yl]propanamide
SYSTEMATIC NAME: 3-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-N-methyl-N-[1-(2-methylpyridin-4-yl)piperidin-4-yl]propanamide
MOLECULAR FORMULA: C23H26ClN3O3S2
MOLECULAR WEIGHT: 492.05384
SMILES: CC1=NC=CC(=C1)N2CCC(CC2)N(C)C(=O)CCS(=O)(=O)C3=CC4=C(S3)C=C(C=C4)Cl
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Product OPENEYE NAME: N-[2-(4-chlorophenyl)ethyl]-6-hydroxy-tetralin-2-carboxamide
CAS Name: N-[2-(4-chlorophenyl)ethyl]-6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
IUPAC NAME: N-[2-(4-chlorophenyl)ethyl]-6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SYSTEMATIC NAME: N-[2-(4-chlorophenyl)ethyl]-6-oxidanyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
MOLECULAR FORMULA: C19H20ClNO2
MOLECULAR WEIGHT: 329.8206
SMILES: C1CC2=C(CC1C(=O)NCCC3=CC=C(C=C3)Cl)C=CC(=C2)O
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Product OPENEYE NAME: 1,3-bis[(4-chlorophenyl)methyl]imidazolidine
CAS Name: 1,3-bis[(4-chlorophenyl)methyl]imidazolidine
IUPAC NAME: 1,3-bis[(4-chlorophenyl)methyl]imidazolidine
SYSTEMATIC NAME: 1,3-bis[(4-chlorophenyl)methyl]imidazolidine
MOLECULAR FORMULA: C17H18Cl2N2
MOLECULAR WEIGHT: 321.24422
SMILES: C1CN(CN1CC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-[3-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]-2-thienyl]phenyl]ethanone
CAS Name: 1-[3-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]-2-thiophenyl]phenyl]ethanone
IUPAC NAME: 1-[3-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone
SYSTEMATIC NAME: 1-[3-[5-azanyl-4-(phenylcarbonyl)-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone
MOLECULAR FORMULA: C26H18F3NO2S
MOLECULAR WEIGHT: 465.48683
SMILES: CC(=O)C1=CC=CC(=C1)C2=C(C(=C(S2)N)C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F
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Product OPENEYE NAME: 1-[4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]-2-thienyl]phenyl]ethanone
CAS Name: 1-[4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]-2-thiophenyl]phenyl]ethanone
IUPAC NAME: 1-[4-[5-amino-4-benzoyl-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone
SYSTEMATIC NAME: 1-[4-[5-azanyl-4-(phenylcarbonyl)-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone
MOLECULAR FORMULA: C26H18F3NO2S
MOLECULAR WEIGHT: 465.48683
SMILES: CC(=O)C1=CC=C(C=C1)C2=C(C(=C(S2)N)C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F
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Product OPENEYE NAME: 2-bromo-3-[(5Z)-5-(5-methyl-3H-1,3,4-oxadiazol-2-ylidene)-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridin-4-yl]benzonitrile
CAS Name: 2-bromo-3-[(5Z)-5-(5-methyl-3H-1,3,4-oxadiazol-2-ylidene)-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridin-4-yl]benzonitrile
IUPAC NAME: 2-bromo-3-[(5Z)-5-(5-methyl-3H-1,3,4-oxadiazol-2-ylidene)-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridin-4-yl]benzonitrile
SYSTEMATIC NAME: 2-bromanyl-3-[(5Z)-5-(5-methyl-3H-1,3,4-oxadiazol-2-ylidene)-6-propyl-1,4-dihydropyrazolo[3,4-b]pyridin-4-yl]benzenecarbonitrile
MOLECULAR FORMULA: C19H17BrN6O
MOLECULAR WEIGHT: 425.28188
SMILES: CCCC\1=NC2=C(C=NN2)C(/C1=C/3\NN=C(O3)C)C4=CC=CC(=C4Br)C#N
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Product OPENEYE NAME: 6-(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-4-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1,2-dihydropyridazin-3-one
CAS Name: 6-(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)-4-[6-[(4-methyl-1-piperazinyl)methyl]-1H-benzimidazol-2-yl]-1,2-dihydropyridazin-3-one
IUPAC NAME: 6-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1,2-dihydropyridazin-3-one
SYSTEMATIC NAME: 6-(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-4-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1,2-dihydropyridazin-3-one
MOLECULAR FORMULA: C25H28N6O2
MOLECULAR WEIGHT: 444.52882
SMILES: CC1=CC(=C2C=C(C(=O)NN2)C3=NC4=C(N3)C=C(C=C4)CN5CCN(CC5)C)C=C(C1=O)C
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Product OPENEYE NAME: 1-[(2R,3R,4S)-3-hydroxy-2-tetradecyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]azetidin-1-yl]hexacosan-1-one
CAS Name: 1-[(2R,3R,4S)-3-hydroxy-2-tetradecyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-1-azetidinyl]-1-hexacosanone
IUPAC NAME: 1-[(2R,3R,4S)-3-hydroxy-2-tetradecyl-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]azetidin-1-yl]hexacosan-1-one
SYSTEMATIC NAME: 1-[(2S,3R,4R)-2-[[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3-oxidanyl-4-tetradecyl-azetidin-1-yl]hexacosan-1-one
MOLECULAR FORMULA: C50H97NO8
MOLECULAR WEIGHT: 840.30708
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N1[C@@H]([C@H]([C@@H]1CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)CCCCCCCCCCCCCC
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Product OPENEYE NAME: 1-[(2S,3R,5R)-3-hydroxy-5-tridecyl-2-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]pyrrolidin-1-yl]hexacosan-1-one
CAS Name: 1-[(2S,3R,5R)-3-hydroxy-5-tridecyl-2-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-1-pyrrolidinyl]-1-hexacosanone
IUPAC NAME: 1-[(2S,3R,5R)-3-hydroxy-5-tridecyl-2-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pyrrolidin-1-yl]hexacosan-1-one
SYSTEMATIC NAME: 1-[(2S,3R,5R)-2-[[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3-oxidanyl-5-tridecyl-pyrrolidin-1-yl]hexacosan-1-one
MOLECULAR FORMULA: C50H97NO8
MOLECULAR WEIGHT: 840.30708
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N1[C@@H](C[C@H]([C@@H]1CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)CCCCCCCCCCCCC
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Product OPENEYE NAME: (1S,2R)-2-(dodecylamino)-1-phenyl-propan-1-ol
CAS Name: (1S,2R)-2-(dodecylamino)-1-phenyl-1-propanol
IUPAC NAME: (1S,2R)-2-(dodecylamino)-1-phenylpropan-1-ol
SYSTEMATIC NAME: (1S,2R)-2-(dodecylamino)-1-phenyl-propan-1-ol
MOLECULAR FORMULA: C21H37NO
MOLECULAR WEIGHT: 319.52458
SMILES: CCCCCCCCCCCCN[C@H](C)[C@H](C1=CC=CC=C1)O
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Product OPENEYE NAME: 10-ethyl-2-(isobutylamino)-5-oxido-benzo[g]pteridin-5-ium-4-one
CAS Name: 10-ethyl-2-(2-methylpropylamino)-5-oxido-4-benzo[g]pteridin-5-iumone
IUPAC NAME: 10-ethyl-2-(2-methylpropylamino)-5-oxidobenzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 10-ethyl-2-(2-methylpropylamino)-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C16H19N5O2
MOLECULAR WEIGHT: 313.35436
SMILES: CCN1C2=CC=CC=C2[N+](=C3C1=NC(=NC3=O)NCC(C)C)[O-]
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Product OPENEYE NAME: 2-(dimethylamino)-1H-benzo[g]pteridin-4-one
CAS Name: 2-(dimethylamino)-1H-benzo[g]pteridin-4-one
IUPAC NAME: 2-(dimethylamino)-1H-benzo[g]pteridin-4-one
SYSTEMATIC NAME: 2-(dimethylamino)-1H-benzo[g]pteridin-4-one
MOLECULAR FORMULA: C12H11N5O
MOLECULAR WEIGHT: 241.24864
SMILES: CN(C)C1=NC(=O)C2=NC3=CC=CC=C3N=C2N1
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All Chemical Compounds Information

Product OPENEYE NAME: (6R,7S,7aR)-2-benzyl-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CAS Name: (6R,7S,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-2-(phenylmethyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
IUPAC NAME: (6R,7S,7aR)-2-benzyl-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SYSTEMATIC NAME: (6R,7S,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-2-(phenylmethyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
MOLECULAR FORMULA: C29H25F7N2O2
MOLECULAR WEIGHT: 566.509822
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CN3[C@H]([C@@H]2C4=CC=C(C=C4)F)CN(C3=O)CC5=CC=CC=C5
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Product OPENEYE NAME: N-[2-(4-tert-butylphenyl)ethyl]-5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CAS Name: N-[2-(4-tert-butylphenyl)ethyl]-5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
IUPAC NAME: N-[2-(4-tert-butylphenyl)ethyl]-5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
SYSTEMATIC NAME: N-[2-(4-tert-butylphenyl)ethyl]-5,8-bis(chloranyl)-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
MOLECULAR FORMULA: C22H26Cl2N2O2S
MOLECULAR WEIGHT: 453.42504
SMILES: CC(C)(C)C1=CC=C(C=C1)CCNC(=S)N2CCC3=C(C2)C(=C(C(=C3Cl)O)O)Cl
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Product OPENEYE NAME: 7,8-dihydroxy-N-(2-phenylethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
CAS Name: 7,8-dihydroxy-N-(2-phenylethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
IUPAC NAME: 7,8-dihydroxy-N-(2-phenylethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
SYSTEMATIC NAME: 7,8-bis(oxidanyl)-N-(2-phenylethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
MOLECULAR FORMULA: C19H22N2O2S
MOLECULAR WEIGHT: 342.45518
SMILES: C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCC3=CC=CC=C3)O)O
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Product OPENEYE NAME: N-[3-[(6-chloro-2-naphthyl)sulfonyl]propyl]-1-(4-pyridyl)piperidine-4-carboxamide
CAS Name: N-[3-[(6-chloro-2-naphthalenyl)sulfonyl]propyl]-1-pyridin-4-yl-4-piperidinecarboxamide
IUPAC NAME: N-[3-(6-chloronaphthalen-2-yl)sulfonylpropyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SYSTEMATIC NAME: N-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropyl]-1-pyridin-4-yl-piperidine-4-carboxamide
MOLECULAR FORMULA: C24H26ClN3O3S
MOLECULAR WEIGHT: 471.99954
SMILES: C1CN(CCC1C(=O)NCCCS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C4=CC=NC=C4
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Product OPENEYE NAME: 1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine
CAS Name: 1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine
IUPAC NAME: 1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine
SYSTEMATIC NAME: 1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine
MOLECULAR FORMULA: C17H16Cl4N2
MOLECULAR WEIGHT: 390.13434
SMILES: C1CN(CN1CC2=CC(=C(C=C2)Cl)Cl)CC3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 1,3-bis[(3-chlorophenyl)methyl]imidazolidine
CAS Name: 1,3-bis[(3-chlorophenyl)methyl]imidazolidine
IUPAC NAME: 1,3-bis[(3-chlorophenyl)methyl]imidazolidine
SYSTEMATIC NAME: 1,3-bis[(3-chlorophenyl)methyl]imidazolidine
MOLECULAR FORMULA: C17H18Cl2N2
MOLECULAR WEIGHT: 321.24422
SMILES: C1CN(CN1CC2=CC(=CC=C2)Cl)CC3=CC(=CC=C3)Cl
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Product OPENEYE NAME: [2-amino-5-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-3-thienyl]-phenyl-methanone
CAS Name: [2-amino-5-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-3-thiophenyl]-phenylmethanone
IUPAC NAME: [2-amino-5-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
SYSTEMATIC NAME: [2-azanyl-5-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenyl-methanone
MOLECULAR FORMULA: C24H15ClF3NOS
MOLECULAR WEIGHT: 457.89521
SMILES: C1=CC=C(C=C1)C(=O)C2=C(SC(=C2C3=CC(=CC=C3)C(F)(F)F)C4=CC=C(C=C4)Cl)N
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Product OPENEYE NAME: [2-amino-5-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]-3-thienyl]-phenyl-methanone
CAS Name: [2-amino-5-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]-3-thiophenyl]-phenylmethanone
IUPAC NAME: [2-amino-5-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
SYSTEMATIC NAME: [2-azanyl-5-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenyl-methanone
MOLECULAR FORMULA: C24H15F3N2O3S
MOLECULAR WEIGHT: 468.44771
SMILES: C1=CC=C(C=C1)C(=O)C2=C(SC(=C2C3=CC(=CC=C3)C(F)(F)F)C4=CC=C(C=C4)[N+](=O)[O-])N
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Product OPENEYE NAME: 3-[2-[(4-bromophenyl)methyl]benzimidazol-1-yl]-N,N-dimethyl-propan-1-amine
CAS Name: 3-[2-[(4-bromophenyl)methyl]-1-benzimidazolyl]-N,N-dimethyl-1-propanamine
IUPAC NAME: 3-[2-[(4-bromophenyl)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: 3-[2-[(4-bromophenyl)methyl]benzimidazol-1-yl]-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C19H22BrN3
MOLECULAR WEIGHT: 372.30208
SMILES: CN(C)CCCN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)Br
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Product OPENEYE NAME: 1-[(3-iodophenyl)methyl]-4-(3-phenylpropyl)piperazine
CAS Name: 1-[(3-iodophenyl)methyl]-4-(3-phenylpropyl)piperazine
IUPAC NAME: 1-[(3-iodophenyl)methyl]-4-(3-phenylpropyl)piperazine
SYSTEMATIC NAME: 1-[(3-iodanylphenyl)methyl]-4-(3-phenylpropyl)piperazine
MOLECULAR FORMULA: C20H25IN2
MOLECULAR WEIGHT: 420.33037
SMILES: C1CN(CCN1CCCC2=CC=CC=C2)CC3=CC(=CC=C3)I
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Product OPENEYE NAME: (2S)-2-(hexadecylamino)-3-phenyl-propan-1-ol
CAS Name: (2S)-2-(hexadecylamino)-3-phenyl-1-propanol
IUPAC NAME: (2S)-2-(hexadecylamino)-3-phenylpropan-1-ol
SYSTEMATIC NAME: (2S)-2-(hexadecylamino)-3-phenyl-propan-1-ol
MOLECULAR FORMULA: C25H45NO
MOLECULAR WEIGHT: 375.6309
SMILES: CCCCCCCCCCCCCCCCN[C@@H](CC1=CC=CC=C1)CO
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Product OPENEYE NAME: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]o
CAS Name: (2S,4S,5R,6R)-5-acetamido-2-[[(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-4-hydroxy-6-[(1R,2R)-1,2,3
IUPAC NAME: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihy
SYSTEMATIC NAME: (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-6-[(1R,2R)-
MOLECULAR FORMULA: C31H52N2O23
MOLECULAR WEIGHT: 820.74418
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)CO)O)NC(=O)C)O)O)O
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Product OPENEYE NAME: N-[2-(1-methylpyrrol-2-yl)ethyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-[2-(1-methyl-2-pyrrolyl)ethyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-[2-(1-methylpyrrol-2-yl)ethyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-[2-(1-methylpyrrol-2-yl)ethyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C19H19F3N4O2S
MOLECULAR WEIGHT: 424.43997
SMILES: CN1C=CC=C1CCNC2=NC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-N-[2-(2-thienyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: 2-(4-methylsulfonylphenyl)-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: 2-(4-methylsulfonylphenyl)-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H16F3N3O2S2
MOLECULAR WEIGHT: 427.46375
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCCC3=CC=CS3)C(F)(F)F
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Product OPENEYE NAME: 3-[[(8R,9S,13S,14S,16R,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
CAS Name: 3-[[(8R,9S,13S,14S,16R,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
IUPAC NAME: 3-[[(8R,9S,13S,14S,16R,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
SYSTEMATIC NAME: 3-[[(8R,9S,13S,14S,16R,17S)-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
MOLECULAR FORMULA: C26H31NO2
MOLECULAR WEIGHT: 389.52984
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)CC4=CC=CC(=C4)C(=O)N)CCC5=CC=CC=C35
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Product OPENEYE NAME: 3-(4-imidazol-1-ylbutoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
CAS Name: 3-[4-(1-imidazolyl)butoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
IUPAC NAME: 3-(4-imidazol-1-ylbutoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
SYSTEMATIC NAME: 3-(4-imidazol-1-ylbutoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
MOLECULAR FORMULA: C15H21N5OS
MOLECULAR WEIGHT: 319.42514
SMILES: CN1CCC=C(C1)C2=NSN=C2OCCCCN3C=CN=C3
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Product OPENEYE NAME: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-pyrrol-1-ylbutoxy)-1,2,5-thiadiazole
CAS Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-(1-pyrrolyl)butoxy]-1,2,5-thiadiazole
IUPAC NAME: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-pyrrol-1-ylbutoxy)-1,2,5-thiadiazole
SYSTEMATIC NAME: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-pyrrol-1-ylbutoxy)-1,2,5-thiadiazole
MOLECULAR FORMULA: C16H22N4OS
MOLECULAR WEIGHT: 318.43708
SMILES: CN1CCC=C(C1)C2=NSN=C2OCCCCN3C=CC=C3
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Product OPENEYE NAME: (6S,7R,7aS)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-(4-fluorophenyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazol-3-one
CAS Name: (6S,7R,7aS)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-(4-fluorophenyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazol-3-one
IUPAC NAME: (6S,7R,7aS)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-(4-fluorophenyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SYSTEMATIC NAME: (6S,7R,7aS)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-6-(4-fluorophenyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
MOLECULAR FORMULA: C22H18F7NO3
MOLECULAR WEIGHT: 477.372042
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H](CN3[C@H]2COC3=O)C4=CC=C(C=C4)F
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All Chemical Compounds Information

Product OPENEYE NAME: ethyl 2-amino-5-phenyl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
CAS Name: 2-amino-5-phenyl-4-[3-(trifluoromethyl)phenyl]-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-amino-5-phenyl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-5-phenyl-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
MOLECULAR FORMULA: C20H16F3NO2S
MOLECULAR WEIGHT: 391.40675
SMILES: CCOC(=O)C1=C(SC(=C1C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3)N
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Product OPENEYE NAME: [2-amino-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-3-thienyl]-phenyl-methanone
CAS Name: [2-amino-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-3-thiophenyl]-phenylmethanone
IUPAC NAME: [2-amino-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
SYSTEMATIC NAME: [2-azanyl-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenyl-methanone
MOLECULAR FORMULA: C25H18F3NO2S
MOLECULAR WEIGHT: 453.47613
SMILES: COC1=CC=C(C=C1)C2=C(C(=C(S2)N)C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H35N3O4
MOLECULAR WEIGHT: 489.6059
SMILES: CN(C)C1=CC=CC(=C1)C(=O)NC2CC[C@]3([C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)O)CCN4CC7CC7)O
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Product OPENEYE NAME: 2,4-dichloro-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-morpholinosulfonyl-benzamide
CAS Name: 2,4-dichloro-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(4-morpholinylsulfonyl)benzamide
IUPAC NAME: 2,4-dichloro-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-morpholin-4-ylsulfonylbenzamide
SYSTEMATIC NAME: 2,4-bis(chloranyl)-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-morpholin-4-ylsulfonyl-benzamide
MOLECULAR FORMULA: C26H23Cl2N3O5S2
MOLECULAR WEIGHT: 592.51392
SMILES: C1CC2=C(CC1C3=CC=C(C=C3)O)C(=C(S2)NC(=O)C4=CC(=C(C=C4Cl)Cl)S(=O)(=O)N5CCOCC5)C#N
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Product OPENEYE NAME: 3-methyl-2-methylsulfanyl-5-oxido-benzo[g]pteridin-5-ium-4-one
CAS Name: 3-methyl-2-(methylthio)-5-oxido-4-benzo[g]pteridin-5-iumone
IUPAC NAME: 3-methyl-2-methylsulfanyl-5-oxidobenzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 3-methyl-2-methylsulfanyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C12H10N4O2S
MOLECULAR WEIGHT: 274.2984
SMILES: CN1C(=O)C2=[N+](C3=CC=CC=C3N=C2N=C1SC)[O-]
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Product OPENEYE NAME: sodium 2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxycyclohexoxy]tetrahydropyran-4-yl]oxyacetate
CAS Name: sodium 2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]cyclohexyl]oxy-4-oxanyl]oxy]acetate
IUPAC NAME: sodium 2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-4-yl]oxyacetate
SYSTEMATIC NAME: sodium 2-[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxyethanoate
MOLECULAR FORMULA: C20H33NaO13
MOLECULAR WEIGHT: 504.45799
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCC(=O)[O-])O)O)O)O.[Na+]
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Product OPENEYE NAME: 2-(cyclohexylamino)-7,10-dimethyl-5-oxido-benzo[g]pteridin-5-ium-4-one
CAS Name: 2-(cyclohexylamino)-7,10-dimethyl-5-oxido-4-benzo[g]pteridin-5-iumone
IUPAC NAME: 2-(cyclohexylamino)-7,10-dimethyl-5-oxidobenzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 2-(cyclohexylamino)-7,10-dimethyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C18H21N5O2
MOLECULAR WEIGHT: 339.39164
SMILES: CC1=CC2=C(C=C1)N(C3=NC(=NC(=O)C3=[N+]2[O-])NC4CCCCC4)C
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Product OPENEYE NAME: (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxycyclohexoxy]tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran
CAS Name: (2S,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]cyclohexyl]oxy-4-oxanyl]oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid
IUPAC NAME: (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
MOLECULAR FORMULA: C29H49NO19
MOLECULAR WEIGHT: 715.69466
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O
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Product OPENEYE NAME: 6-chloro-2-(4-methylsulfonylphenyl)-N-(2-thienylmethyl)pyrimidin-4-amine
CAS Name: 6-chloro-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-4-pyrimidinamine
IUPAC NAME: 6-chloro-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-chloranyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C16H14ClN3O2S2
MOLECULAR WEIGHT: 379.88426
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)NCC3=CC=CS3
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Product OPENEYE NAME: N-benzyl-6-ethylsulfanyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
CAS Name: 6-(ethylthio)-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)-4-pyrimidinamine
IUPAC NAME: N-benzyl-6-ethylsulfanyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-ethylsulfanyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C20H21N3O2S2
MOLECULAR WEIGHT: 399.52964
SMILES: CCSC1=NC(=NC(=C1)NCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: N-benzyl-6-chloro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
CAS Name: 6-chloro-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)-4-pyrimidinamine
IUPAC NAME: N-benzyl-6-chloro-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-chloranyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H16ClN3O2S
MOLECULAR WEIGHT: 373.85654
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)NCC3=CC=CC=C3
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Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-N-(p-tolylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-[(4-methylphenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-[(4-methylphenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-[(4-methylphenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C20H18F3N3O2S
MOLECULAR WEIGHT: 421.43603
SMILES: CC1=CC=C(C=C1)CNC2=NC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 3-[[(8R,9S,13S,14S,16R,17S)-3,17-dihydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
CAS Name: 3-[[(8R,9S,13S,14S,16R,17S)-3,17-dihydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
IUPAC NAME: 3-[[(8R,9S,13S,14S,16R,17S)-3,17-dihydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
SYSTEMATIC NAME: 3-[[(8R,9S,13S,14S,16R,17S)-2-methoxy-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
MOLECULAR FORMULA: C27H33NO4
MOLECULAR WEIGHT: 435.55522
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)CC4=CC=CC(=C4)C(=O)N)CCC5=CC(=C(C=C35)OC)O
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Product OPENEYE NAME: 1-dodecyl-3-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]urea
CAS Name: 1-dodecyl-3-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]urea
IUPAC NAME: 1-dodecyl-3-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]urea
SYSTEMATIC NAME: 1-dodecyl-3-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]urea
MOLECULAR FORMULA: C22H38N2O2
MOLECULAR WEIGHT: 362.54932
SMILES: CCCCCCCCCCCCNC(=O)N[C@H](C)[C@H](C1=CC=CC=C1)O
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Product OPENEYE NAME: ethyl 5-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]pentanoate
CAS Name: 5-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]pentanoic acid ethyl ester
IUPAC NAME: ethyl 5-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]pentanoate
SYSTEMATIC NAME: ethyl 5-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]pentanoate
MOLECULAR FORMULA: C15H23N3O3S
MOLECULAR WEIGHT: 325.42642
SMILES: CCOC(=O)CCCCOC1=NSN=C1C2=CCCN(C2)C
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Product OPENEYE NAME: 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]acetic acid
CAS Name: 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]acetic acid
IUPAC NAME: 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]acetic acid
SYSTEMATIC NAME: 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethanoic acid
MOLECULAR FORMULA: C10H13N3O3S
MOLECULAR WEIGHT: 255.29352
SMILES: CN1CCC=C(C1)C2=NSN=C2OCC(=O)O
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All Chemical Compounds Information

Product OPENEYE NAME: N-(3-chloro-4-methoxy-phenyl)-2-(4-chloro-2-methyl-anilino)-6-(trifluoromethyl)pyridine-3-carboxamide
CAS Name: N-(3-chloro-4-methoxyphenyl)-2-(4-chloro-2-methylanilino)-6-(trifluoromethyl)-3-pyridinecarboxamide
IUPAC NAME: N-(3-chloro-4-methoxyphenyl)-2-(4-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxamide
SYSTEMATIC NAME: N-(3-chloranyl-4-methoxy-phenyl)-2-[(4-chloranyl-2-methyl-phenyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
MOLECULAR FORMULA: C21H16Cl2F3N3O2
MOLECULAR WEIGHT: 470.27185
SMILES: CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)OC)Cl
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Product OPENEYE NAME: sodium (2S)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxycyclohexoxy]tetrahydropyran-4-yl]oxypropanoate
CAS Name: sodium (2S)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]cyclohexyl]oxy-4-oxanyl]oxy]propanoate
IUPAC NAME: sodium (2S)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-4-yl]oxypropanoate
SYSTEMATIC NAME: sodium (2S)-2-[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxypropanoate
MOLECULAR FORMULA: C21H35NaO13
MOLECULAR WEIGHT: 518.48457
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](C)C(=O)[O-])O)O)O)O.[Na+]
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Product OPENEYE NAME: (2S)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxycyclohexoxy]tetrahydropyran-4-yl]oxypropanoic acid
CAS Name: (2S)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]cyclohexyl]oxy-4-oxanyl]oxy]propanoic acid
IUPAC NAME: (2S)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-4-yl]oxypropanoic acid
SYSTEMATIC NAME: (2S)-2-[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxypropanoic acid
MOLECULAR FORMULA: C21H36O13
MOLECULAR WEIGHT: 496.50274
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H](C)C(=O)O)O)O)O)O
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Product OPENEYE NAME: N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-[4-(6-pyridin-1-ium-1-ylhexanoylamino)phenyl]ethyl]tetradecanamide bromide
CAS Name: N-[(1R,2R)-1,3-dihydroxy-1-[4-[[1-oxo-6-(1-pyridin-1-iumyl)hexyl]amino]phenyl]propan-2-yl]tetradecanamide bromide
IUPAC NAME: N-[(1R,2R)-1,3-dihydroxy-1-[4-(6-pyridin-1-ium-1-ylhexanoylamino)phenyl]propan-2-yl]tetradecanamide bromide
SYSTEMATIC NAME: N-[(1R,2R)-1,3-bis(oxidanyl)-1-[4-(6-pyridin-1-ium-1-ylhexanoylamino)phenyl]propan-2-yl]tetradecanamide bromide
MOLECULAR FORMULA: C34H54BrN3O4
MOLECULAR WEIGHT: 648.71426
SMILES: CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@@H](C1=CC=C(C=C1)NC(=O)CCCCC[N+]2=CC=CC=C2)O.[Br-]
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Product OPENEYE NAME: N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-[4-(6-pyridin-1-ium-1-ylhexanoylamino)phenyl]ethyl]tetradecanamide
CAS Name: N-[(1R,2R)-1,3-dihydroxy-1-[4-[[1-oxo-6-(1-pyridin-1-iumyl)hexyl]amino]phenyl]propan-2-yl]tetradecanamide
IUPAC NAME: N-[(1R,2R)-1,3-dihydroxy-1-[4-(6-pyridin-1-ium-1-ylhexanoylamino)phenyl]propan-2-yl]tetradecanamide
SYSTEMATIC NAME: N-[(1R,2R)-1,3-bis(oxidanyl)-1-[4-(6-pyridin-1-ium-1-ylhexanoylamino)phenyl]propan-2-yl]tetradecanamide
MOLECULAR FORMULA: C34H54N3O4+
MOLECULAR WEIGHT: 568.81026
SMILES: CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@@H](C1=CC=C(C=C1)NC(=O)CCCCC[N+]2=CC=CC=C2)O
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Product OPENEYE NAME: 6-ethylsulfonyl-2-(4-methylsulfonylphenyl)-N-(2-thienylmethyl)pyrimidin-4-amine
CAS Name: 6-ethylsulfonyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-4-pyrimidinamine
IUPAC NAME: 6-ethylsulfonyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-ethylsulfonyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H19N3O4S3
MOLECULAR WEIGHT: 437.55616
SMILES: CCS(=O)(=O)C1=NC(=NC(=C1)NCC2=CC=CS2)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 1-dodecyl-3-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]urea
CAS Name: 1-dodecyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
IUPAC NAME: 1-dodecyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
SYSTEMATIC NAME: 1-dodecyl-3-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]urea
MOLECULAR FORMULA: C22H38N2O2
MOLECULAR WEIGHT: 362.54932
SMILES: CCCCCCCCCCCCNC(=O)N[C@@H](C)[C@@H](C1=CC=CC=C1)O
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Product OPENEYE NAME: N-benzyl-6-ethylsulfonyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
CAS Name: 6-ethylsulfonyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)-4-pyrimidinamine
IUPAC NAME: N-benzyl-6-ethylsulfonyl-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-ethylsulfonyl-2-(4-methylsulfonylphenyl)-N-(phenylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C20H21N3O4S2
MOLECULAR WEIGHT: 431.52844
SMILES: CCS(=O)(=O)C1=NC(=NC(=C1)NCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 6-ethylsulfanyl-2-(4-methylsulfonylphenyl)-N-(2-thienylmethyl)pyrimidin-4-amine
CAS Name: 6-(ethylthio)-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-4-pyrimidinamine
IUPAC NAME: 6-ethylsulfanyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-ethylsulfanyl-2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C18H19N3O2S3
MOLECULAR WEIGHT: 405.55736
SMILES: CCSC1=NC(=NC(=C1)NCC2=CC=CS2)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C19H15F4N3O2S
MOLECULAR WEIGHT: 425.399913
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CC=C(C=C3)F)C(F)(F)F
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Product OPENEYE NAME: 1-dodecyl-3-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]urea
CAS Name: 1-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-dodecylurea
IUPAC NAME: 1-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-dodecylurea
SYSTEMATIC NAME: 1-dodecyl-3-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]urea
MOLECULAR FORMULA: C22H37N3O5
MOLECULAR WEIGHT: 423.54628
SMILES: CCCCCCCCCCCCNC(=O)N[C@H](CO)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O
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Product OPENEYE NAME: (6R,7S,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-2-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CAS Name: (6R,7S,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-2-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
IUPAC NAME: (6R,7S,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-2-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
SYSTEMATIC NAME: (6R,7S,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-2-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
MOLECULAR FORMULA: C23H21F7N2O2
MOLECULAR WEIGHT: 490.413862
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CN3[C@H]([C@@H]2C4=CC=C(C=C4)F)CN(C3=O)C
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Product OPENEYE NAME: 3-[[(7R,8R,9S,13S,14S,16R,17S)-7-[11-[butyl(methyl)amino]-11-oxo-undecyl]-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
CAS Name: 3-[[(7R,8R,9S,13S,14S,16R,17S)-7-[11-[butyl(methyl)amino]-11-oxoundecyl]-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
IUPAC NAME: 3-[[(7R,8R,9S,13S,14S,16R,17S)-7-[11-[butyl(methyl)amino]-11-oxoundecyl]-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
SYSTEMATIC NAME: 3-[[(7R,8R,9S,13S,14S,16R,17S)-7-[11-[butyl(methyl)amino]-11-oxidanylidene-undecyl]-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]methyl]benzamide
MOLECULAR FORMULA: C42H62N2O4
MOLECULAR WEIGHT: 658.95268
SMILES: CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1CC2=C(C=CC(=C2)O)[C@@H]3[C@@H]1[C@@H]4C[C@@H]([C@@H]([C@]4(CC3)C)O)CC5=CC=CC(=C5)C(=O)N
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Product OPENEYE NAME: N-[2-(4-tert-butylphenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
CAS Name: N-[2-(4-tert-butylphenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
IUPAC NAME: N-[2-(4-tert-butylphenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
SYSTEMATIC NAME: N-[2-(4-tert-butylphenyl)ethyl]-7,8-bis(oxidanyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
MOLECULAR FORMULA: C23H30N2O2S
MOLECULAR WEIGHT: 398.5615
SMILES: CC(C)(C)C1=CC=C(C=C1)CCNC(=S)N2CCCC3=CC(=C(C=C3C2)O)O
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All Chemical Compounds Information

Product OPENEYE NAME: N-[2-(3-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
CAS Name: N-[2-(3-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
IUPAC NAME: N-[2-(3-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
SYSTEMATIC NAME: N-[2-(3-chlorophenyl)ethyl]-7,8-bis(oxidanyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
MOLECULAR FORMULA: C19H21ClN2O2S
MOLECULAR WEIGHT: 376.90024
SMILES: C1CC2=CC(=C(C=C2CN(C1)C(=S)NCCC3=CC(=CC=C3)Cl)O)O
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Product OPENEYE NAME: 2-[6-(cyclopropylamino)purin-9-yl]-N-methyl-cyclopentanecarboxamide
CAS Name: 2-[6-(cyclopropylamino)-9-purinyl]-N-methyl-1-cyclopentanecarboxamide
IUPAC NAME: 2-[6-(cyclopropylamino)purin-9-yl]-N-methylcyclopentane-1-carboxamide
SYSTEMATIC NAME: 2-[6-(cyclopropylamino)purin-9-yl]-N-methyl-cyclopentane-1-carboxamide
MOLECULAR FORMULA: C15H20N6O
MOLECULAR WEIGHT: 300.3589
SMILES: CNC(=O)C1CCCC1N2C=NC3=C2N=CN=C3NC4CC4
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Product OPENEYE NAME: 4-[(6-chloro-2-naphthyl)sulfonyl]-N-methyl-N-[1-(4-pyridyl)-4-piperidyl]butanamide
CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-N-methyl-N-(1-pyridin-4-yl-4-piperidinyl)butanamide
IUPAC NAME: 4-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)butanamide
SYSTEMATIC NAME: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)butanamide
MOLECULAR FORMULA: C25H28ClN3O3S
MOLECULAR WEIGHT: 486.02612
SMILES: CN(C1CCN(CC1)C2=CC=NC=C2)C(=O)CCCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl
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Product OPENEYE NAME: N-[2-[(6-chloro-2-naphthyl)sulfonyl]ethyl]-N-methyl-1-(4-pyridyl)piperidine-4-carboxamide
CAS Name: N-[2-[(6-chloro-2-naphthalenyl)sulfonyl]ethyl]-N-methyl-1-pyridin-4-yl-4-piperidinecarboxamide
IUPAC NAME: N-[2-(6-chloronaphthalen-2-yl)sulfonylethyl]-N-methyl-1-pyridin-4-ylpiperidine-4-carboxamide
SYSTEMATIC NAME: N-[2-(6-chloranylnaphthalen-2-yl)sulfonylethyl]-N-methyl-1-pyridin-4-yl-piperidine-4-carboxamide
MOLECULAR FORMULA: C24H26ClN3O3S
MOLECULAR WEIGHT: 471.99954
SMILES: CN(CCS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)Cl)C(=O)C3CCN(CC3)C4=CC=NC=C4
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Product OPENEYE NAME: 2-(4-chlorophenyl)-1,3-bis(p-tolylmethyl)imidazolidine
CAS Name: 2-(4-chlorophenyl)-1,3-bis[(4-methylphenyl)methyl]imidazolidine
IUPAC NAME: 2-(4-chlorophenyl)-1,3-bis[(4-methylphenyl)methyl]imidazolidine
SYSTEMATIC NAME: 2-(4-chlorophenyl)-1,3-bis[(4-methylphenyl)methyl]imidazolidine
MOLECULAR FORMULA: C25H27ClN2
MOLECULAR WEIGHT: 390.94828
SMILES: CC1=CC=C(C=C1)CN2CCN(C2C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)C
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Product OPENEYE NAME: 2-[[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4,5-dimethoxy-N,N-dimethyl-benzenesulfonamide
CAS Name: 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide
IUPAC NAME: 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide
SYSTEMATIC NAME: 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4,5-dimethoxy-N,N-dimethyl-benzenesulfonamide
MOLECULAR FORMULA: C19H21ClN4O4S2
MOLECULAR WEIGHT: 468.97744
SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1CC2=NNC(=S)N2C3=CC=C(C=C3)Cl)OC)OC
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Product OPENEYE NAME: N,N-diethyl-4,5-dimethoxy-2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CAS Name: N,N-diethyl-4,5-dimethoxy-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
IUPAC NAME: N,N-diethyl-4,5-dimethoxy-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
SYSTEMATIC NAME: N,N-diethyl-4,5-dimethoxy-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
MOLECULAR FORMULA: C21H26N4O4S2
MOLECULAR WEIGHT: 462.58554
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1CC2=NNC(=S)N2C3=CC=CC=C3)OC)OC
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Product OPENEYE NAME: ethyl 5-(4-acetylphenyl)-2-amino-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
CAS Name: 5-(4-acetylphenyl)-2-amino-4-[3-(trifluoromethyl)phenyl]-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-(4-acetylphenyl)-2-amino-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-5-(4-ethanoylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
MOLECULAR FORMULA: C22H18F3NO3S
MOLECULAR WEIGHT: 433.44343
SMILES: CCOC(=O)C1=C(SC(=C1C2=CC(=CC=C2)C(F)(F)F)C3=CC=C(C=C3)C(=O)C)N
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Product OPENEYE NAME: ethyl 5-(3-acetylphenyl)-2-amino-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
CAS Name: 5-(3-acetylphenyl)-2-amino-4-[3-(trifluoromethyl)phenyl]-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-(3-acetylphenyl)-2-amino-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-5-(3-ethanoylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
MOLECULAR FORMULA: C22H18F3NO3S
MOLECULAR WEIGHT: 433.44343
SMILES: CCOC(=O)C1=C(SC(=C1C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)C(=O)C)N
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Product OPENEYE NAME: (2R,3R,4R,5S)-1-cyclohexyl-2-methyl-piperidine-3,4,5-triol
CAS Name: (2R,3R,4R,5S)-1-cyclohexyl-2-methylpiperidine-3,4,5-triol
IUPAC NAME: (2R,3R,4R,5S)-1-cyclohexyl-2-methylpiperidine-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4R,5S)-1-cyclohexyl-2-methyl-piperidine-3,4,5-triol
MOLECULAR FORMULA: C12H23NO3
MOLECULAR WEIGHT: 229.31592
SMILES: C[C@@H]1[C@H]([C@@H]([C@H](CN1C2CCCCC2)O)O)O
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Product OPENEYE NAME: (2R,3R,4R,5S)-1-butyl-2-methyl-piperidine-3,4,5-triol
CAS Name: (2R,3R,4R,5S)-1-butyl-2-methylpiperidine-3,4,5-triol
IUPAC NAME: (2R,3R,4R,5S)-1-butyl-2-methylpiperidine-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4R,5S)-1-butyl-2-methyl-piperidine-3,4,5-triol
MOLECULAR FORMULA: C10H21NO3
MOLECULAR WEIGHT: 203.27864
SMILES: CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1C)O)O)O
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Product OPENEYE NAME: (2R,3R,4R,5S)-1-decyl-2-methyl-piperidine-3,4,5-triol
CAS Name: (2R,3R,4R,5S)-1-decyl-2-methylpiperidine-3,4,5-triol
IUPAC NAME: (2R,3R,4R,5S)-1-decyl-2-methylpiperidine-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4R,5S)-1-decyl-2-methyl-piperidine-3,4,5-triol
MOLECULAR FORMULA: C16H33NO3
MOLECULAR WEIGHT: 287.43812
SMILES: CCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1C)O)O)O
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Product OPENEYE NAME: 3,7,9-trimethyl-2-methylsulfanyl-5-oxido-benzo[g]pteridin-5-ium-4-one
CAS Name: 3,7,9-trimethyl-2-(methylthio)-5-oxido-4-benzo[g]pteridin-5-iumone
IUPAC NAME: 3,7,9-trimethyl-2-methylsulfanyl-5-oxidobenzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 3,7,9-trimethyl-2-methylsulfanyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C14H14N4O2S
MOLECULAR WEIGHT: 302.35156
SMILES: CC1=CC(=C2C(=C1)[N+](=C3C(=N2)N=C(N(C3=O)C)SC)[O-])C
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All Chemical Compounds Information

Product OPENEYE NAME: 3-ethyl-7,9-dimethyl-2-methylsulfanyl-5-oxido-benzo[g]pteridin-5-ium-4-one
CAS Name: 3-ethyl-7,9-dimethyl-2-(methylthio)-5-oxido-4-benzo[g]pteridin-5-iumone
IUPAC NAME: 3-ethyl-7,9-dimethyl-2-methylsulfanyl-5-oxidobenzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 3-ethyl-7,9-dimethyl-2-methylsulfanyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C15H16N4O2S
MOLECULAR WEIGHT: 316.37814
SMILES: CCN1C(=O)C2=[N+](C3=CC(=CC(=C3N=C2N=C1SC)C)C)[O-]
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Product OPENEYE NAME: 1-dodecyl-3-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]urea
CAS Name: 1-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-dodecylurea
IUPAC NAME: 1-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-dodecylurea
SYSTEMATIC NAME: 1-dodecyl-3-[(1S,2S)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]urea
MOLECULAR FORMULA: C22H37N3O5
MOLECULAR WEIGHT: 423.54628
SMILES: CCCCCCCCCCCCNC(=O)N[C@@H](CO)[C@H](C1=CC=C(C=C1)[N+](=O)[O-])O
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Product OPENEYE NAME: 2-(2-hydroxyethylamino)-7,10-dimethyl-5-oxido-benzo[g]pteridin-5-ium-4-one
CAS Name: 2-(2-hydroxyethylamino)-7,10-dimethyl-5-oxido-4-benzo[g]pteridin-5-iumone
IUPAC NAME: 2-(2-hydroxyethylamino)-7,10-dimethyl-5-oxidobenzo[g]pteridin-5-ium-4-one
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)-7,10-dimethyl-5-oxidanidyl-benzo[g]pteridin-5-ium-4-one
MOLECULAR FORMULA: C14H15N5O3
MOLECULAR WEIGHT: 301.3006
SMILES: CC1=CC2=C(C=C1)N(C3=NC(=NC(=O)C3=[N+]2[O-])NCCO)C
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Product OPENEYE NAME: 6-(benzylamino)-2-(4-methylsulfonylphenyl)-1H-pyrimidin-4-one
CAS Name: 2-(4-methylsulfonylphenyl)-6-[(phenylmethyl)amino]-1H-pyrimidin-4-one
IUPAC NAME: 6-(benzylamino)-2-(4-methylsulfonylphenyl)-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-6-[(phenylmethyl)amino]-1H-pyrimidin-4-one
MOLECULAR FORMULA: C18H17N3O3S
MOLECULAR WEIGHT: 355.41088
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=O)C=C(N2)NCC3=CC=CC=C3
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Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-6-(2-thienylmethylamino)-1H-pyrimidin-4-one
CAS Name: 2-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethylamino)-1H-pyrimidin-4-one
IUPAC NAME: 2-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethylamino)-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-6-(thiophen-2-ylmethylamino)-1H-pyrimidin-4-one
MOLECULAR FORMULA: C16H15N3O3S2
MOLECULAR WEIGHT: 361.4386
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=O)C=C(N2)NCC3=CC=CS3
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Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-N-(m-tolylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-[(3-methylphenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-[(3-methylphenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-[(3-methylphenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C20H18F3N3O2S
MOLECULAR WEIGHT: 421.43603
SMILES: CC1=CC(=CC=C1)CNC2=NC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-N-(o-tolylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C20H18F3N3O2S
MOLECULAR WEIGHT: 421.43603
SMILES: CC1=CC=CC=C1CNC2=NC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C
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Product OPENEYE NAME: 4-[4-(2-thienylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
CAS Name: 4-[4-(thiophen-2-ylmethylamino)-6-(trifluoromethyl)-2-pyrimidinyl]benzenesulfonamide
IUPAC NAME: 4-[4-(thiophen-2-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
SYSTEMATIC NAME: 4-[4-(thiophen-2-ylmethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C16H13F3N4O2S2
MOLECULAR WEIGHT: 414.42523
SMILES: C1=CSC(=C1)CNC2=NC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N
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Product OPENEYE NAME: 4-[4-(benzylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
CAS Name: 4-[4-[(phenylmethyl)amino]-6-(trifluoromethyl)-2-pyrimidinyl]benzenesulfonamide
IUPAC NAME: 4-[4-(benzylamino)-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
SYSTEMATIC NAME: 4-[4-[(phenylmethyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C18H15F3N4O2S
MOLECULAR WEIGHT: 408.39751
SMILES: C1=CC=C(C=C1)CNC2=NC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N
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Product OPENEYE NAME: (6R,7S,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one
CAS Name: (6R,7S,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one
IUPAC NAME: (6R,7S,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one
SYSTEMATIC NAME: (6R,7S,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one
MOLECULAR FORMULA: C22H19F7N2O2
MOLECULAR WEIGHT: 476.387282
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CN3[C@H]([C@@H]2C4=CC=C(C=C4)F)CNC3=O
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Product OPENEYE NAME: 2-(6-aminopurin-9-yl)-N-methyl-cyclopentanecarboxamide
CAS Name: 2-(6-aminopurin-9-yl)-N-methyl-1-cyclopentanecarboxamide
IUPAC NAME: 2-(6-aminopurin-9-yl)-N-methylcyclopentane-1-carboxamide
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)-N-methyl-cyclopentane-1-carboxamide
MOLECULAR FORMULA: C12H16N6O
MOLECULAR WEIGHT: 260.29504
SMILES: CNC(=O)C1CCCC1N2C=NC3=C2N=CN=C3N
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All Chemical Compounds Information

Product OPENEYE NAME: ethyl 2-amino-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
CAS Name: 2-amino-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-amino-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
MOLECULAR FORMULA: C21H18F3NO3S
MOLECULAR WEIGHT: 421.43273
SMILES: CCOC(=O)C1=C(SC(=C1C2=CC(=CC=C2)C(F)(F)F)C3=CC=C(C=C3)OC)N
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Product OPENEYE NAME: ethyl 2-amino-5-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
CAS Name: 2-amino-5-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-amino-5-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-5-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
MOLECULAR FORMULA: C20H15F3N2O4S
MOLECULAR WEIGHT: 436.40431
SMILES: CCOC(=O)C1=C(SC(=C1C2=CC(=CC=C2)C(F)(F)F)C3=CC=C(C=C3)[N+](=O)[O-])N
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H34N2O4
MOLECULAR WEIGHT: 486.60196
SMILES: C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1NC(=O)/C=C/CC7=CC=CC=C7)OC5=C(C=C4)O)O
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Product OPENEYE NAME: ethyl 4-[2-(5-chloro-2-methyl-anilino)-6-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carboxylate
CAS Name: 4-[[2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[2-[(5-chloranyl-2-methyl-phenyl)amino]-6-(trifluoromethyl)pyridin-3-yl]carbonylpiperazine-1-carboxylate
MOLECULAR FORMULA: C21H22ClF3N4O3
MOLECULAR WEIGHT: 470.87259
SMILES: CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C(F)(F)F)NC3=C(C=CC(=C3)Cl)C
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Product OPENEYE NAME: (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-methyl-piperidine-3,4,5-triol
CAS Name: (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-methylpiperidine-3,4,5-triol
IUPAC NAME: (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-methylpiperidine-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-methyl-piperidine-3,4,5-triol
MOLECULAR FORMULA: C8H17NO4
MOLECULAR WEIGHT: 191.22488
SMILES: C[C@@H]1[C@H]([C@@H]([C@H](CN1CCO)O)O)O
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Product OPENEYE NAME: (2R,3R,4R,5S)-1-(2-methoxyethyl)-2-methyl-piperidine-3,4,5-triol
CAS Name: (2R,3R,4R,5S)-1-(2-methoxyethyl)-2-methylpiperidine-3,4,5-triol
IUPAC NAME: (2R,3R,4R,5S)-1-(2-methoxyethyl)-2-methylpiperidine-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4R,5S)-1-(2-methoxyethyl)-2-methyl-piperidine-3,4,5-triol
MOLECULAR FORMULA: C9H19NO4
MOLECULAR WEIGHT: 205.25146
SMILES: C[C@@H]1[C@H]([C@@H]([C@H](CN1CCOC)O)O)O
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Product OPENEYE NAME: (2R,3R,4R,5S)-1-(2-aminoethyl)-2-methyl-piperidine-3,4,5-triol
CAS Name: (2R,3R,4R,5S)-1-(2-aminoethyl)-2-methylpiperidine-3,4,5-triol
IUPAC NAME: (2R,3R,4R,5S)-1-(2-aminoethyl)-2-methylpiperidine-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4R,5S)-1-(2-azanylethyl)-2-methyl-piperidine-3,4,5-triol
MOLECULAR FORMULA: C8H18N2O3
MOLECULAR WEIGHT: 190.24012
SMILES: C[C@@H]1[C@H]([C@@H]([C@H](CN1CCN)O)O)O
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Product OPENEYE NAME: N-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methyl-1-piperidyl]ethyl]acetamide
CAS Name: N-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methyl-1-piperidinyl]ethyl]acetamide
IUPAC NAME: N-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]ethyl]acetamide
SYSTEMATIC NAME: N-[2-[(2R,3R,4R,5S)-2-methyl-3,4,5-tris(oxidanyl)piperidin-1-yl]ethyl]ethanamide
MOLECULAR FORMULA: C10H20N2O4
MOLECULAR WEIGHT: 232.2768
SMILES: C[C@@H]1[C@H]([C@@H]([C@H](CN1CCNC(=O)C)O)O)O
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Product OPENEYE NAME: sodium (2R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxycyclohexoxy]tetrahydropyran-4-yl]oxypropanoate
CAS Name: sodium (2R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]cyclohexyl]oxy-4-oxanyl]oxy]propanoate
IUPAC NAME: sodium (2R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-4-yl]oxypropanoate
SYSTEMATIC NAME: sodium (2R)-2-[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxypropanoate
MOLECULAR FORMULA: C21H35NaO13
MOLECULAR WEIGHT: 518.48457
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H](C)C(=O)[O-])O)O)O)O.[Na+]
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Product OPENEYE NAME: (2R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxycyclohexoxy]tetrahydropyran-4-yl]oxypropanoic acid
CAS Name: (2R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]cyclohexyl]oxy-4-oxanyl]oxy]propanoic acid
IUPAC NAME: (2R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-4-yl]oxypropanoic acid
SYSTEMATIC NAME: (2R)-2-[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxypropanoic acid
MOLECULAR FORMULA: C21H36O13
MOLECULAR WEIGHT: 496.50274
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H](C)C(=O)O)O)O)O)O
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