CAS RN: 152490-69-2
CAS Name: (6aS,11aS)-3-methoxy-9-phenylmethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran
OPENEYE Name: (6aS,11aS)-9-benzyloxy-3-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene
IUPAC Name: (6aS,11aS)-3-methoxy-9-phenylmethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
SYSTEMATIC NAME: (6aS,11aS)-3-methoxy-9-phenylmethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene
MOLECULAR FORMULA: C23H20O4
MOLECULAR WEIGHT: 360.4025
SMILES: COC1=CC2=C(C=C1)[C@@H]3[C@H](CO2)C4=C(O3)C=C(C=C4)OCC5=CC=CC=C5
Structure:
CAS RN: 61507-80-0
CAS Name: 2-hydrazinyl-3-methyl-4-quinazolinone
OPENEYE Name: 2-hydrazino-3-methyl-quinazolin-4-one
IUPAC Name: 2-hydrazinyl-3-methylquinazolin-4-one
SYSTEMATIC NAME: 2-diazanyl-3-methyl-quinazolin-4-one
MOLECULAR FORMULA: C9H10N4O
MOLECULAR WEIGHT: 190.2019
SMILES: CN1C(=O)C2=CC=CC=C2N=C1NN
Structure:
CAS RN: 908804-66-0
CAS Name: 1-[6-amino-4-(3-methoxyphenyl)-3-methyl-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenylethanone
OPENEYE Name: 1-[6-amino-4-(3-methoxyphenyl)-3-methyl-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenyl-ethanone
IUPAC Name: 1-[6-amino-4-(3-methoxyphenyl)-3-methyl-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenylethanone
SYSTEMATIC NAME: 1-[6-azanyl-4-(3-methoxyphenyl)-3-methyl-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenyl-ethanone
MOLECULAR FORMULA: C21H20N4O2S
MOLECULAR WEIGHT: 392.4741
SMILES: CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=CC=C3)OC)C(=O)CC4=CC=CC=C4
Structure:
CAS RN: 499-10-5
CAS Name: 4-(mercaptomethyl)-N-(4-oxo-2-phenyl-3-quinazolinyl)benzamide
OPENEYE Name: N-(4-oxo-2-phenyl-quinazolin-3-yl)-4-(sulfanylmethyl)benzamide
IUPAC Name: N-(4-oxo-2-phenylquinazolin-3-yl)-4-(sulfanylmethyl)benzamide
SYSTEMATIC NAME: N-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)-4-(sulfanylmethyl)benzamide
MOLECULAR FORMULA: C22H17N3O2S
MOLECULAR WEIGHT: 387.45428
SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)CS
Structure:
CAS RN: 138278-89-4
CAS Name: 4-(1H-perimidin-2-yl)benzoic acid
OPENEYE Name: 4-(1H-perimidin-2-yl)benzoic acid
IUPAC Name: 4-(1H-perimidin-2-yl)benzoic acid
SYSTEMATIC NAME: 4-(1H-perimidin-2-yl)benzoic acid
MOLECULAR FORMULA: C18H12N2O2
MOLECULAR WEIGHT: 288.30008
SMILES: C1=CC2=C3C(=C1)NC(=NC3=CC=C2)C4=CC=C(C=C4)C(=O)O
Structure:
CAS RN: 98244-78-1
CAS Name: 2,6-bis(diethylaminomethyl)-4-[(10-methyl-11-indolo[3,2-b]quinolinyl)amino]phenol
OPENEYE Name: 2,6-bis(diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol
IUPAC Name: 2,6-bis(diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol
SYSTEMATIC NAME: 2,6-bis(diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol
MOLECULAR FORMULA: C32H39N5O
MOLECULAR WEIGHT: 509.68496
SMILES: CCN(CC)CC1=CC(=CC(=C1O)CN(CC)CC)NC2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3C
Structure:
CAS RN: 98244-78-1
CAS Name: 2,6-bis(diethylaminomethyl)-4-[(10-methyl-11-indolo[3,2-b]quinolinyl)amino]phenol hydrochloride
OPENEYE Name: 2,6-bis(diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol hydrochloride
IUPAC Name: 2,6-bis(diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol hydrochloride
SYSTEMATIC NAME: 2,6-bis(diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol hydrochloride
MOLECULAR FORMULA: C32H40ClN5O
MOLECULAR WEIGHT: 546.1459
SMILES: CCN(CC)CC1=CC(=CC(=C1O)CN(CC)CC)NC2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3C.Cl
Structure:
CAS RN: 137571-55-2
CAS Name: 8-ethyl-4,12-dimethoxy-7,8,9,10-tetrahydronaphtho[1,2-c][2]benzopyran-6-one
OPENEYE Name: 8-ethyl-4,12-dimethoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one
IUPAC Name: 8-ethyl-4,12-dimethoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one
SYSTEMATIC NAME: 8-ethyl-4,12-dimethoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one
MOLECULAR FORMULA: C21H22O4
MOLECULAR WEIGHT: 338.39698
SMILES: CCC1CCC2=C(C1)C(=O)OC3=C4C(=C(C=C23)OC)C=CC=C4OC
Structure:
CAS RN: 6616-56-4
CAS Name: (1S)-1-(3,4-dimethoxyphenyl)ethanamine
OPENEYE Name: (1S)-1-(3,4-dimethoxyphenyl)ethanamine
IUPAC Name: (1S)-1-(3,4-dimethoxyphenyl)ethanamine
SYSTEMATIC NAME: (1S)-1-(3,4-dimethoxyphenyl)ethanamine
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: C[C@@H](C1=CC(=C(C=C1)OC)OC)N
Structure:
CAS RN: 908824-80-6
CAS Name: 2-[5-(3-methoxyphenyl)-2-(3-phenylprop-2-enyl)-1,2,4-triazol-3-yl]pyrazine
OPENEYE Name: 2-[2-cinnamyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]pyrazine
IUPAC Name: 2-[5-(3-methoxyphenyl)-2-(3-phenylprop-2-enyl)-1,2,4-triazol-3-yl]pyrazine
SYSTEMATIC NAME: 2-[5-(3-methoxyphenyl)-2-(3-phenylprop-2-enyl)-1,2,4-triazol-3-yl]pyrazine
MOLECULAR FORMULA: C22H19N5O
MOLECULAR WEIGHT: 369.41916
SMILES: COC1=CC=CC(=C1)C2=NN(C(=N2)C3=NC=CN=C3)CC=CC4=CC=CC=C4
Structure:
CAS RN: 134080-00-5
CAS Name: 5-methoxy-7H-benzo[d][2]benzazepine
OPENEYE Name: 5-methoxy-7H-benzo[d][2]benzazepine
IUPAC Name: 5-methoxy-7H-benzo[d][2]benzazepine
SYSTEMATIC NAME: 5-methoxy-7H-benzo[d][2]benzazepine
MOLECULAR FORMULA: C15H13NO
MOLECULAR WEIGHT: 223.26982
SMILES: COC1=NCC2=CC=CC=C2C3=CC=CC=C31
Structure:
CAS RN: 208576-38-9
CAS Name: 4-[[(4-amino-1-methyl-2-pyrrolyl)-oxomethyl]amino]naphthalene-1,7-disulfonic acid
OPENEYE Name: 4-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]naphthalene-1,7-disulfonic acid
IUPAC Name: 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]naphthalene-1,7-disulfonic acid
SYSTEMATIC NAME: 4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]naphthalene-1,7-disulfonic acid
MOLECULAR FORMULA: C16H15N3O7S2
MOLECULAR WEIGHT: 425.4362
SMILES: CN1C=C(C=C1C(=O)NC2=C3C=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)N
Structure:
CAS RN: 87694-49-3
CAS Name: N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[2-[methoxy(methyl)amino]-1-methyl-2-oxo-ethyl]carbamate
IUPAC Name: tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[1-[methoxy(methyl)amino]-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C10H20N2O4
MOLECULAR WEIGHT: 232.2768
SMILES: CC(C(=O)N(C)OC)NC(=O)OC(C)(C)C
Structure:
CAS RN: 150258-65-4
CAS Name: 5-[2-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid
OPENEYE Name: 5-[2-(2,5-dihydroxyphenyl)ethyl]-2-hydroxy-benzoic acid
IUPAC Name: 5-[2-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid
SYSTEMATIC NAME: 5-[2-[2,5-bis(oxidanyl)phenyl]ethyl]-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C15H14O5
MOLECULAR WEIGHT: 274.26866
SMILES: C1=CC(=C(C=C1CCC2=C(C=CC(=C2)O)O)C(=O)O)O
Structure:
CAS RN: 142822-86-4
CAS Name: 7,8-diacetyloxy-3-isoquinolinecarboxylic acid methyl ester
OPENEYE Name: methyl 7,8-diacetoxyisoquinoline-3-carboxylate
IUPAC Name: methyl 7,8-diacetyloxyisoquinoline-3-carboxylate
SYSTEMATIC NAME: methyl 7,8-diacetyloxyisoquinoline-3-carboxylate
MOLECULAR FORMULA: C15H13NO6
MOLECULAR WEIGHT: 303.26682
SMILES: CC(=O)OC1=C(C2=CN=C(C=C2C=C1)C(=O)OC)OC(=O)C
Structure:
CAS RN: 14315-26-5
CAS Name: 7,8-diacetyloxy-3-isoquinolinecarboxylic acid methyl ester
OPENEYE Name: methyl 7,8-diacetoxyisoquinoline-3-carboxylate
IUPAC Name: methyl 7,8-diacetyloxyisoquinoline-3-carboxylate
SYSTEMATIC NAME: methyl 7,8-diacetyloxyisoquinoline-3-carboxylate
MOLECULAR FORMULA: C15H13NO6
MOLECULAR WEIGHT: 303.26682
SMILES: CC(=O)OC1=C(C2=CN=C(C=C2C=C1)C(=O)OC)OC(=O)C
Structure:
CAS RN: 124753-97-5
CAS Name: N-(1,3-dihydroxyoctadec-4-en-2-yl)hexanamide
OPENEYE Name: N-[2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]hexanamide
IUPAC Name: N-(1,3-dihydroxyoctadec-4-en-2-yl)hexanamide
SYSTEMATIC NAME: N-[1,3-bis(oxidanyl)octadec-4-en-2-yl]hexanamide
MOLECULAR FORMULA: C24H47NO3
MOLECULAR WEIGHT: 397.63488
SMILES: CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCC)O
Structure:
CAS RN: 906435-33-4
CAS Name: [1-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidin-2-yl]cyanamide
OPENEYE Name: [1-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidin-2-yl]cyanamide
IUPAC Name: [1-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidin-2-yl]cyanamide
SYSTEMATIC NAME: [1-[2-(1H-indol-3-yl)ethyl]-6-oxidanylidene-4,5-dihydropyrimidin-2-yl]cyanamide
MOLECULAR FORMULA: C15H15N5O
MOLECULAR WEIGHT: 281.3125
SMILES: C1CN=C(N(C1=O)CCC2=CNC3=CC=CC=C32)NC#N
Structure:
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