CAS RN: 155-38-4
CAS Name: 5-amino-N-(3-amino-3-iminopropyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
OPENEYE Name: 5-amino-N-(3-amino-3-imino-propyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
IUPAC Name: 5-amino-N-(3-amino-3-iminopropyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
SYSTEMATIC NAME: 5-azanyl-N-(3-azanyl-3-azanylidene-propyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
MOLECULAR FORMULA: C8H15N5O
MOLECULAR WEIGHT: 197.2376
SMILES: C1CC(=NC1C(=O)NCCC(=N)N)N
Structure:
CAS RN: 34403-90-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28N2O4
MOLECULAR WEIGHT: 396.47942
SMILES: COC1=C(C=C2C(=C1)C34CCN5C3CC6C(C5)CCOC7C6C4N2C(=O)C7)OC
Structure:
CAS RN: 34637-40-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28N2O4
MOLECULAR WEIGHT: 396.47942
SMILES: COC1=C(C=C2C(=C1)C34CCN5C3CC6C(C5)CCOC7C6C4N2C(=O)C7)OC
Structure:
CAS RN: 60737-54-4
CAS Name: (3S,4S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
OPENEYE Name: (3S,4S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
IUPAC Name: (3S,4S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
SYSTEMATIC NAME: (3S,4S)-8-methyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylic acid
MOLECULAR FORMULA: C16H19NO4
MOLECULAR WEIGHT: 289.32636
SMILES: CN1C2CCC1[C@@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O
Structure:
CAS RN: 36127-17-0
CAS Name: 8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester
OPENEYE Name: methyl 8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name: methyl 8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-4-carboxylate
SYSTEMATIC NAME: methyl 8-methyl-3-oxidanylidene-8-azabicyclo[3.2.1]octane-4-carboxylate
MOLECULAR FORMULA: C10H15NO3
MOLECULAR WEIGHT: 197.231
SMILES: CN1C2CCC1C(C(=O)C2)C(=O)OC
Structure:
CAS RN: 18711-15-4
CAS Name: 4,6-dichloro-1H-indole-2,3-dione
OPENEYE Name: 4,6-dichloroindoline-2,3-dione
IUPAC Name: 4,6-dichloro-1H-indole-2,3-dione
SYSTEMATIC NAME: 4,6-bis(chloranyl)-1H-indole-2,3-dione
MOLECULAR FORMULA: C8H3Cl2NO2
MOLECULAR WEIGHT: 216.02092
SMILES: C1=C(C=C2C(=C1Cl)C(=O)C(=O)N2)Cl
Structure:
CAS RN: 6164-68-7
CAS Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-ol; 2,4,6-trinitrophenol
OPENEYE Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-ol; picric acid
IUPAC Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-ol; 2,4,6-trinitrophenol
SYSTEMATIC NAME: 8-methyl-8-azabicyclo[3.2.1]octan-3-ol; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C14H18N4O8
MOLECULAR WEIGHT: 370.31472
SMILES: CN1C2CCC1CC(C2)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 2143-61-5
CAS Name: (8R,9S,10R,13S,14S,17S)-3-butoxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol
OPENEYE Name: (8R,9S,10R,13S,14S,17S)-3-butoxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol
IUPAC Name: (8R,9S,10R,13S,14S,17S)-3-butoxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17S)-3-butoxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C24H38O2
MOLECULAR WEIGHT: 358.55732
SMILES: CCCCOC1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]4([C@H]3CC[C@]4(C)O)C
Structure:
CAS RN: 21431-24-3
CAS Name: (8R,9S,10R,13S,14S,17S)-3-ethoxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol
OPENEYE Name: (8R,9S,10R,13S,14S,17S)-3-ethoxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol
IUPAC Name: (8R,9S,10R,13S,14S,17S)-3-ethoxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17S)-3-ethoxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C22H34O2
MOLECULAR WEIGHT: 330.50416
SMILES: CCOC1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]4([C@H]3CC[C@]4(C)O)C
Structure:
CAS RN: 378-38-1
CAS Name: (6S,8S,9R,10S,11S,13S,14S,17S)-17-acetyl-9-fluoro-11-hydroxy-6,10,13-trimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (6S,8S,9R,10S,11S,13S,14S,17S)-17-acetyl-9-fluoro-11-hydroxy-6,10,13-trimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,17S)-17-acetyl-9-fluoro-11-hydroxy-6,10,13-trimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,8S,9R,10S,11S,13S,14S,17S)-17-ethanoyl-9-fluoranyl-6,10,13-trimethyl-11-oxidanyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H31FO3
MOLECULAR WEIGHT: 362.478143
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@H]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)CC4)C)F)O)C)C(=O)C
Structure:
CAS RN: 3601-97-6
CAS Name: (8S,9S,13R,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-one
OPENEYE Name: (8S,9S,13R,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-one
IUPAC Name: (8S,9S,13R,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-one
SYSTEMATIC NAME: (8S,9S,13R,14S)-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-one
MOLECULAR FORMULA: C18H22O2
MOLECULAR WEIGHT: 270.36608
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=O)C2)CCC4=C3C=CC(=C4)O
Structure:
CAS RN: 35171-06-3
CAS Name: 1-(5-tert-butyl-2-thiophenyl)ethanone
OPENEYE Name: 1-(5-tert-butyl-2-thienyl)ethanone
IUPAC Name: 1-(5-tert-butylthiophen-2-yl)ethanone
SYSTEMATIC NAME: 1-(5-tert-butylthiophen-2-yl)ethanone
MOLECULAR FORMULA: C10H14OS
MOLECULAR WEIGHT: 182.28256
SMILES: CC(=O)C1=CC=C(S1)C(C)(C)C
Structure:
CAS RN: 6636-24-4
CAS Name: 1,3-bis(2-cyanoethyl)-1-nitrosourea
OPENEYE Name: 1,3-bis(2-cyanoethyl)-1-nitroso-urea
IUPAC Name: 1,3-bis(2-cyanoethyl)-1-nitrosourea
SYSTEMATIC NAME: 1,3-bis(2-cyanoethyl)-1-nitroso-urea
MOLECULAR FORMULA: C7H9N5O2
MOLECULAR WEIGHT: 195.17866
SMILES: C(CNC(=O)N(CCC#N)N=O)C#N
Structure:
CAS RN: 940-36-3
CAS Name: 1,3-bis(2-cyanoethyl)urea
OPENEYE Name: 1,3-bis(2-cyanoethyl)urea
IUPAC Name: 1,3-bis(2-cyanoethyl)urea
SYSTEMATIC NAME: 1,3-bis(2-cyanoethyl)urea
MOLECULAR FORMULA: C7H10N4O
MOLECULAR WEIGHT: 166.1805
SMILES: C(CNC(=O)NCCC#N)C#N
Structure:
CAS RN: 80003-76-5
CAS Name: 2-[[(8-hydroxy-7-quinolinyl)-(2-pyridinyl)methyl]amino]benzoic acid methyl ester
OPENEYE Name: methyl 2-[[(8-hydroxy-7-quinolyl)-(2-pyridyl)methyl]amino]benzoate
IUPAC Name: methyl 2-[[(8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate
SYSTEMATIC NAME: methyl 2-[[(8-oxidanylquinolin-7-yl)-pyridin-2-yl-methyl]amino]benzoate
MOLECULAR FORMULA: C23H19N3O3
MOLECULAR WEIGHT: 385.41526
SMILES: COC(=O)C1=CC=CC=C1NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4
Structure:
CAS RN: 94267-88-6
CAS Name: N-(3-methylphenyl)-2-oxo-1,3,2$l^{5}-diazaphosphorinan-2-amine
OPENEYE Name: N-(m-tolyl)-2-oxo-1,3,2$l^{5}-diazaphosphinan-2-amine
IUPAC Name: N-(3-methylphenyl)-2-oxo-1,3,2$l^{5}-diazaphosphinan-2-amine
SYSTEMATIC NAME: N-(3-methylphenyl)-2-oxidanylidene-1,3,2$l^{5}-diazaphosphinan-2-amine
MOLECULAR FORMULA: C10H16N3OP
MOLECULAR WEIGHT: 225.227301
SMILES: CC1=CC(=CC=C1)NP2(=O)NCCCN2
Structure:
CAS RN: 21696-26-4
CAS Name: 2-amino-N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide
OPENEYE Name: 2-amino-N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide
IUPAC Name: 2-amino-1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide
SYSTEMATIC NAME: 2-azanyl-N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide
MOLECULAR FORMULA: C26H25N7O2
MOLECULAR WEIGHT: 467.5224
SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5)N
Structure:
CAS RN: 72115-09-4
CAS Name: 1-[4-hydroxy-5-(mercaptomethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[4-hydroxy-5-(sulfanylmethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[4-hydroxy-5-(sulfanylmethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-methyl-1-[4-oxidanyl-5-(sulfanylmethyl)oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H14N2O4S
MOLECULAR WEIGHT: 258.29416
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CS)O
Structure:
CAS RN: 2149-76-0
CAS Name: 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H13N3O6
MOLECULAR WEIGHT: 259.21602
SMILES: C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)N
Structure:
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