CAS RN: 1743-60-8
CAS Name: acetic acid [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(8R,9S,13S,14S,17S)-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C20H26O3
MOLECULAR WEIGHT: 314.41864
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
Structure:
CAS RN: 18339-16-7
CAS Name: (5S,8R,9S,10S,13R,14S)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (5S,8R,9S,10S,13R,14S)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (5S,8R,9S,10S,13R,14S)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5S,8R,9S,10S,13R,14S)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H28O
MOLECULAR WEIGHT: 272.42502
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CCC(=O)C4)C
Structure:
CAS RN: 149-64-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H30BrNO4
MOLECULAR WEIGHT: 440.3712
SMILES: CCCC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-]
Structure:
CAS RN: 68247-85-8
CAS Name: carbamic acid [(2R,3S,4S,5R,6R)-2-[[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-oxomethyl]amino]-3-[[(2R,3S,4S)-3-hydroxy-5-[[(2S,3R)-3-hydroxy-1-oxo-1-[2-[4-[4-[oxo
OPENEYE Name: [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[[(1R,2S,3S)-2-hydroxy-4-[[(1S,2R)-2-hydroxy-1-[2-[4-[4-[3-[[(1S)-1-phenylethyl]ami
IUPAC Name: [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-3-hydroxy-5-[[(2S,3R)-3-hydroxy-1-oxo-1-[2-[4-[4-[3-[[(1S)-1-phenylethyl]
SYSTEMATIC NAME: [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-azanyl-2-[(1S)-3-azanyl-1-[[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]-5-methyl-pyrimidin-4-yl]carbonylamino]-1-(1H-imidazol-5-yl)-3-[[(2R,3S,4S)-4-methyl-3-oxidanyl-5-
MOLECULAR FORMULA: C61H88N18O21S2
MOLECULAR WEIGHT: 1473.58942
SMILES: CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(
Structure:
CAS RN: 895261-88-8
CAS Name: 3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
IUPAC Name: methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
MOLECULAR FORMULA: C10H13NO4S2
MOLECULAR WEIGHT: 275.34452
SMILES: COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC2
Structure:
CAS RN: 336113-53-2
CAS Name: N-(3-aminopropyl)-N-[(1R)-1-[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-4-methylbenzamide
OPENEYE Name: N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)-2-methyl-propyl]-4-methyl-benzamide
IUPAC Name: N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
SYSTEMATIC NAME: N-(3-azanylpropyl)-N-[(1R)-1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]-2-methyl-propyl]-4-methyl-benzamide
MOLECULAR FORMULA: C30H33ClN4O2
MOLECULAR WEIGHT: 517.06162
SMILES: CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C
Structure:
CAS RN: 5858-95-7
CAS Name: N-[(E)-benzenesulfonylimino(phenyl)methyl]-1-(methylthio)methanimidic acid methyl ester
OPENEYE Name: methyl N-[(E)-N-(benzenesulfonyl)-C-phenyl-carbonimidoyl]-1-methylsulfanyl-methanimidate
IUPAC Name: methyl N-[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-1-methylsulfanylmethanimidate
SYSTEMATIC NAME: methyl 1-methylsulfanyl-N-[(E)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl]methanimidate
MOLECULAR FORMULA: C16H16N2O3S2
MOLECULAR WEIGHT: 348.43984
SMILES: COC(=N/C(=N/S(=O)(=O)C1=CC=CC=C1)/C2=CC=CC=C2)SC
Structure:
CAS RN: 5870-44-0
CAS Name: 2-(4-methylphenyl)sulfonyl-1-(4-methyl-2-quinazolinyl)guanidine
OPENEYE Name: 1-(4-methylquinazolin-2-yl)-2-(p-tolylsulfonyl)guanidine
IUPAC Name: 2-(4-methylphenyl)sulfonyl-1-(4-methylquinazolin-2-yl)guanidine
SYSTEMATIC NAME: 2-(4-methylphenyl)sulfonyl-1-(4-methylquinazolin-2-yl)guanidine
MOLECULAR FORMULA: C17H17N5O2S
MOLECULAR WEIGHT: 355.41418
SMILES: CC1=CC=C(C=C1)S(=O)(=O)/N=C(\N)/NC2=NC3=CC=CC=C3C(=N2)C
Structure:
CAS RN: 84412-94-2
CAS Name: (7S,9S)-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-[(1E)-1-[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinylidene)hydrazinylidene]ethyl]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-[(E)-N-[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidylidene)amino]-C-methyl-carbonimidoyl]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-[(E)-N-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-C-methylcarbonimidoyl]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-9-[(E)-C-methyl-N-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-ylidene)amino]carbonimidoyl]-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C36H46N4O10
MOLECULAR WEIGHT: 694.77124
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(/C(=N/N=C6CC(N(C(C6)(C)C)O)(C)C)/C)O)N)O
Structure:
CAS RN: 244202-43-5
CAS Name: ammonium 2-methyl-2-(1-oxoprop-2-enylamino)-1-propanesulfonate
OPENEYE Name: ammonium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
IUPAC Name: azanium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
SYSTEMATIC NAME: azanium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
MOLECULAR FORMULA: C7H16N2O4S
MOLECULAR WEIGHT: 224.27794
SMILES: CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.[NH4+]
Structure:
CAS RN: 356057-14-2
CAS Name: ammonium 2-methyl-2-(1-oxoprop-2-enylamino)-1-propanesulfonate
OPENEYE Name: ammonium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
IUPAC Name: azanium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
SYSTEMATIC NAME: azanium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
MOLECULAR FORMULA: C7H16N2O4S
MOLECULAR WEIGHT: 224.27794
SMILES: CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.[NH4+]
Structure:
CAS RN: 363593-04-8
CAS Name: ammonium 2-methyl-2-(1-oxoprop-2-enylamino)-1-propanesulfonate
OPENEYE Name: ammonium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
IUPAC Name: azanium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
SYSTEMATIC NAME: azanium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
MOLECULAR FORMULA: C7H16N2O4S
MOLECULAR WEIGHT: 224.27794
SMILES: CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.[NH4+]
Structure:
CAS RN: 441768-74-7
CAS Name: ammonium 2-methyl-2-(1-oxoprop-2-enylamino)-1-propanesulfonate
OPENEYE Name: ammonium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
IUPAC Name: azanium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
SYSTEMATIC NAME: azanium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
MOLECULAR FORMULA: C7H16N2O4S
MOLECULAR WEIGHT: 224.27794
SMILES: CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.[NH4+]
Structure:
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