CAS RN: 119935-36-3
CAS Name: 2-[[[5-bromo-2-[[(2-chlorophenyl)-oxomethyl]amino]phenyl]-phenylmethyl]amino]acetic acid methyl ester
OPENEYE Name: methyl 2-[[[5-bromo-2-[(2-chlorobenzoyl)amino]phenyl]-phenyl-methyl]amino]acetate
IUPAC Name: methyl 2-[[[5-bromo-2-[(2-chlorobenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
SYSTEMATIC NAME: methyl 2-[[[5-bromanyl-2-[(2-chlorophenyl)carbonylamino]phenyl]-phenyl-methyl]amino]ethanoate
MOLECULAR FORMULA: C23H20BrClN2O3
MOLECULAR WEIGHT: 487.7735
SMILES: COC(=O)CNC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)NC(=O)C3=CC=CC=C3Cl
Structure:
CAS RN: 5688-30-2
CAS Name: N'-[(3-methoxyphenyl)-oxomethyl]-2-oxolanecarbohydrazide
OPENEYE Name: N'-(3-methoxybenzoyl)tetrahydrofuran-2-carbohydrazide
IUPAC Name: N'-(3-methoxybenzoyl)oxolane-2-carbohydrazide
SYSTEMATIC NAME: N'-(3-methoxyphenyl)carbonyloxolane-2-carbohydrazide
MOLECULAR FORMULA: C13H16N2O4
MOLECULAR WEIGHT: 264.27714
SMILES: COC1=CC=CC(=C1)C(=O)NNC(=O)C2CCCO2
Structure:
CAS RN: 5686-53-3
CAS Name: 2-amino-1-(2,4,6-trimethylphenyl)-1-propanone hydrochloride
OPENEYE Name: 2-amino-1-(2,4,6-trimethylphenyl)propan-1-one hydrochloride
IUPAC Name: 2-amino-1-(2,4,6-trimethylphenyl)propan-1-one hydrochloride
SYSTEMATIC NAME: 2-azanyl-1-(2,4,6-trimethylphenyl)propan-1-one hydrochloride
MOLECULAR FORMULA: C12H18ClNO
MOLECULAR WEIGHT: 227.73042
SMILES: CC1=CC(=C(C(=C1)C)C(=O)C(C)N)C.Cl
Structure:
CAS RN: 5685-27-8
CAS Name: 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate
IUPAC Name: benzyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 7-bromanyl-2-oxidanylidene-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate
MOLECULAR FORMULA: C23H19BrN2O3
MOLECULAR WEIGHT: 451.31256
SMILES: C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 5685-01-8
CAS Name: N,N-diethyl-2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]ethanamine dihydrochloride
OPENEYE Name: 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-diethyl-ethanamine dihydrochloride
IUPAC Name: 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-diethylethanamine dihydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanamine dihydrochloride
MOLECULAR FORMULA: C20H27Cl2N3S
MOLECULAR WEIGHT: 412.41948
SMILES: CCN(CC)CCSC1=NC2=CC=CC=C2N1CC3=CC=CC=C3.Cl.Cl
Structure:
CAS RN: 59898-48-5
CAS Name: 2-[[ethylamino(sulfanylidene)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(ethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
IUPAC Name: ethyl 2-(ethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(ethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C13H18N2O2S2
MOLECULAR WEIGHT: 298.42422
SMILES: CCNC(=S)NC1=C(C2=C(S1)CCC2)C(=O)OCC
Structure:
CAS RN: 5682-67-7
CAS Name: 3-[3-(dimethylamino)propyl]-2-(3-nitrophenyl)-4-thiazolidinone hydrochloride
OPENEYE Name: 3-[3-(dimethylamino)propyl]-2-(3-nitrophenyl)thiazolidin-4-one hydrochloride
IUPAC Name: 3-[3-(dimethylamino)propyl]-2-(3-nitrophenyl)-1,3-thiazolidin-4-one hydrochloride
SYSTEMATIC NAME: 3-[3-(dimethylamino)propyl]-2-(3-nitrophenyl)-1,3-thiazolidin-4-one hydrochloride
MOLECULAR FORMULA: C14H20ClN3O3S
MOLECULAR WEIGHT: 345.8449
SMILES: CN(C)CCCN1C(SCC1=O)C2=CC(=CC=C2)[N+](=O)[O-].Cl
Structure:
CAS RN: 5681-74-3
CAS Name: [4-(1-piperidinylsulfonyl)phenyl]-[2-(prop-2-ynylthio)-1-benzimidazolyl]methanone
OPENEYE Name: [4-(1-piperidylsulfonyl)phenyl]-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)methanone
IUPAC Name: (4-piperidin-1-ylsulfonylphenyl)-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)methanone
SYSTEMATIC NAME: (4-piperidin-1-ylsulfonylphenyl)-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)methanone
MOLECULAR FORMULA: C22H21N3O3S2
MOLECULAR WEIGHT: 439.55044
SMILES: C#CCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4
Structure:
CAS RN: 5680-89-7
CAS Name: [2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
OPENEYE Name: [2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
IUPAC Name: [2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
SYSTEMATIC NAME: [2,6-dimethyl-4-[(4-methylphenyl)amino]-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
MOLECULAR FORMULA: C26H28N2O2
MOLECULAR WEIGHT: 400.51272
SMILES: CC1CC(C2=C(N1C(=O)C3=CC=C(C=C3)OC)C=CC(=C2)C)NC4=CC=C(C=C4)C
Structure:
CAS RN: 5680-82-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H21NO4
MOLECULAR WEIGHT: 423.45994
SMILES: CC12C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)C(C5=CC=CC=C51)(C6=CC=CC=C26)C
Structure:
CAS RN: 5680-52-4
CAS Name: N-(4-bromophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
OPENEYE Name: N-(4-bromophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
IUPAC Name: N-(4-bromophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SYSTEMATIC NAME: N-(4-bromophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
MOLECULAR FORMULA: C18H15BrClN3O2
MOLECULAR WEIGHT: 420.6876
SMILES: CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Br
Structure:
CAS RN: 5680-02-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H13ClN2O4
MOLECULAR WEIGHT: 344.74912
SMILES: C1CC12C3C=CC2C4C3C(=O)N(C4=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl
Structure:
CAS RN: 5679-75-4
CAS Name: N'-[3,5-dimethyl-2-(2-methyl-1-oxopropyl)-4H-pyrazol-3-yl]-2-methylpropanehydrazide
OPENEYE Name: N'-[3,5-dimethyl-2-(2-methylpropanoyl)-4H-pyrazol-3-yl]-2-methyl-propanehydrazide
IUPAC Name: N'-[3,5-dimethyl-2-(2-methylpropanoyl)-4H-pyrazol-3-yl]-2-methylpropanehydrazide
SYSTEMATIC NAME: N'-[3,5-dimethyl-2-(2-methylpropanoyl)-4H-pyrazol-3-yl]-2-methyl-propanehydrazide
MOLECULAR FORMULA: C13H24N4O2
MOLECULAR WEIGHT: 268.35526
SMILES: CC1=NN(C(C1)(C)NNC(=O)C(C)C)C(=O)C(C)C
Structure:
CAS RN: 5679-70-9
CAS Name: 1-(1-piperidinyl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)-2-propanol
OPENEYE Name: 1-(1-piperidyl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
IUPAC Name: 1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SYSTEMATIC NAME: 1-piperidin-1-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
MOLECULAR FORMULA: C20H28N2O
MOLECULAR WEIGHT: 312.44912
SMILES: C1CCN(CC1)CC(CN2C3=C(CCCC3)C4=CC=CC=C42)O
Structure:
CAS RN: 5679-32-3
CAS Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-phenyl-1-piperazinyl)-1-propanone
OPENEYE Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
IUPAC Name: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
SYSTEMATIC NAME: 3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
MOLECULAR FORMULA: C25H24N4O6
MOLECULAR WEIGHT: 476.48126
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)OC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 5678-84-2
CAS Name: 5'-acetyl-2'-amino-6'-methyl-2-oxo-3'-spiro[1H-indole-3,4'-pyran]carboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 5'-acetyl-2'-amino-6'-methyl-2-oxo-spiro[indoline-3,4'-pyran]-3'-carboxylate
IUPAC Name: benzyl 5'-acetyl-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 2'-azanyl-5'-ethanoyl-6'-methyl-2-oxidanylidene-spiro[1H-indole-3,4'-pyran]-3'-carboxylate
MOLECULAR FORMULA: C23H20N2O5
MOLECULAR WEIGHT: 404.4153
SMILES: CC1=C(C2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C(=O)OCC4=CC=CC=C4)C(=O)C
Structure:
CAS RN: 5678-81-9
CAS Name: 4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
OPENEYE Name: 4-(4-chlorophenyl)-6-methyl-N-(o-tolyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
IUPAC Name: 4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
MOLECULAR FORMULA: C19H18ClN3O2
MOLECULAR WEIGHT: 355.81812
SMILES: CC1=CC=CC=C1NC(=O)C2=C(NC(=O)NC2C3=CC=C(C=C3)Cl)C
Structure:
CAS RN: 5678-10-4
CAS Name: N-(4-chlorophenyl)-6-methyl-4-(1-naphthalenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
OPENEYE Name: N-(4-chlorophenyl)-6-methyl-4-(1-naphthyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
IUPAC Name: N-(4-chlorophenyl)-6-methyl-4-naphthalen-1-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-6-methyl-4-naphthalen-1-yl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
MOLECULAR FORMULA: C22H18ClN3O2
MOLECULAR WEIGHT: 391.85022
SMILES: CC1=C(C(NC(=O)N1)C2=CC=CC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)Cl
Structure:
CAS RN: 187884-87-3
CAS Name: 3-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid
OPENEYE Name: 3-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid
IUPAC Name: 3-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid
SYSTEMATIC NAME: 3-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid
MOLECULAR FORMULA: C14H18N2O2
MOLECULAR WEIGHT: 246.30492
SMILES: CC1(CC2=CC=CC=C2C(=N1)NCCC(=O)O)C
Structure:
CAS RN: 5677-74-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H17NO3
MOLECULAR WEIGHT: 307.34318
SMILES: CC(=O)C1=CC(=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5
Structure:
CAS RN: 5676-89-1
CAS Name: 1-(4-bromophenyl)-3-[4-(4-nitrophenyl)-1-piperazinyl]pyrrolidine-2,5-dione
OPENEYE Name: 1-(4-bromophenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
IUPAC Name: 1-(4-bromophenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-(4-bromophenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C20H19BrN4O4
MOLECULAR WEIGHT: 459.29326
SMILES: C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 5676-85-7
CAS Name: 1-(3,6-diiodo-9-carbazolyl)-3-[(phenylmethyl)amino]-2-propanol
OPENEYE Name: 1-(benzylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol
IUPAC Name: 1-(benzylamino)-3-(3,6-diiodocarbazol-9-yl)propan-2-ol
SYSTEMATIC NAME: 1-[3,6-bis(iodanyl)carbazol-9-yl]-3-[(phenylmethyl)amino]propan-2-ol
MOLECULAR FORMULA: C22H20I2N2O
MOLECULAR WEIGHT: 582.21594
SMILES: C1=CC=C(C=C1)CNCC(CN2C3=C(C=C(C=C3)I)C4=C2C=CC(=C4)I)O
Structure:
CAS RN: 892-49-9
CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C10H12N4O4S
MOLECULAR WEIGHT: 284.29168
SMILES: C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 28069-17-2
CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C10H12N4O4S
MOLECULAR WEIGHT: 284.29168
SMILES: C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 15639-75-5
CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C10H12N4O4S
MOLECULAR WEIGHT: 284.29168
SMILES: C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 7687-43-6
CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C10H12N4O4S
MOLECULAR WEIGHT: 284.29168
SMILES: C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O
Structure:
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