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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CAS Name:
IUPAC NAME:
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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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