CAS RN: 5935-51-3
CAS Name: 3-(3-chloro-4-fluorophenyl)-1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-prop-2-enylurea
OPENEYE Name: 1-allyl-3-(3-chloro-4-fluoro-phenyl)-1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]urea
IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enylurea
SYSTEMATIC NAME: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enyl-urea
MOLECULAR FORMULA: C23H23ClFN3O
MOLECULAR WEIGHT: 411.899623
SMILES: CC1=CC(=CC=C1)CN2C=CC=C2CN(CC=C)C(=O)NC3=CC(=C(C=C3)F)Cl
Structure:
CAS RN: 4696-05-3
CAS Name: 5-methoxy-4-[(4-methylphenyl)thio]-2-phenylpyrimidine
OPENEYE Name: 5-methoxy-2-phenyl-4-(p-tolylsulfanyl)pyrimidine
IUPAC Name: 5-methoxy-4-(4-methylphenyl)sulfanyl-2-phenylpyrimidine
SYSTEMATIC NAME: 5-methoxy-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrimidine
MOLECULAR FORMULA: C18H16N2OS
MOLECULAR WEIGHT: 308.39744
SMILES: CC1=CC=C(C=C1)SC2=NC(=NC=C2OC)C3=CC=CC=C3
Structure:
CAS RN: 5659-62-1
CAS Name: [2-(2-fluorophenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-(5-methyl-1-phenyl-4-pyrazolyl)methanolate
OPENEYE Name: [2-(2-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(5-methyl-1-phenyl-pyrazol-4-yl)methanolate
IUPAC Name: [2-(2-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methyl-1-phenylpyrazol-4-yl)methanolate
SYSTEMATIC NAME: [2-(2-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(5-methyl-1-phenyl-pyrazol-4-yl)methanolate
MOLECULAR FORMULA: C28H29FN4O4
MOLECULAR WEIGHT: 504.552663
SMILES: CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCC[NH+]4CCOCC4)C5=CC=CC=C5F)[O-]
Structure:
CAS RN: 5658-87-7
CAS Name: 3-[1-[[1-oxo-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]thio]ethyl]hydrazinylidene]ethyl]phenolate
OPENEYE Name: 3-[C-methyl-N-[[2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]amino]carbonimidoyl]phenolate
IUPAC Name: 3-[C-methyl-N-[[2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]amino]carbonimidoyl]phenolate
SYSTEMATIC NAME: 3-[C-methyl-N-[2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoylamino]carbonimidoyl]phenolate
MOLECULAR FORMULA: C27H27N5O5S
MOLECULAR WEIGHT: 533.59878
SMILES: CC(=NNC(=O)CSC1=NNC(=[N+]1C2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=CC=C4)[O-]
Structure:
CAS RN: 5530-28-9
CAS Name: 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-1-indolyl]methyl]benzoic acid methyl ester
OPENEYE Name: methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxo-prop-1-enyl]indol-1-yl]methyl]benzoate
IUPAC Name: methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 3-[[3-[3-[(3-chlorophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]indol-1-yl]methyl]benzoate
MOLECULAR FORMULA: C27H20ClN3O3
MOLECULAR WEIGHT: 469.919
SMILES: COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)NC4=CC(=CC=C4)Cl
Structure:
CAS RN: 5997-01-3
CAS Name: 2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)-1-pyrrolidinecarboxamide
OPENEYE Name: N-(4-nitrophenyl)-2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
IUPAC Name: 2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
SYSTEMATIC NAME: 2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
MOLECULAR FORMULA: C20H19N5O4
MOLECULAR WEIGHT: 393.39596
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)C3CCCN3C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 5975-45-1
CAS Name: 1-(2,3-dimethylphenyl)-3-[1-[4-(4-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]urea
OPENEYE Name: 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea
IUPAC Name: 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea
SYSTEMATIC NAME: 1-(2,3-dimethylphenyl)-3-[1-[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]urea
MOLECULAR FORMULA: C26H26N6O3S
MOLECULAR WEIGHT: 502.58804
SMILES: CC1=C(C(=CC=C1)NC(=O)NC(C)C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC=C4)C
Structure:
CAS RN: 5970-54-7
CAS Name: N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylacetamide
OPENEYE Name: N-[2-[4-(o-tolyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxo-ethyl]-N-propyl-acetamide
IUPAC Name: N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylacetamide
SYSTEMATIC NAME: N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxidanylidene-ethyl]-N-propyl-ethanamide
MOLECULAR FORMULA: C21H26N2O2S
MOLECULAR WEIGHT: 370.50834
SMILES: CCCN(CC(=O)N1CCC2=C(C1C3=CC=CC=C3C)C=CS2)C(=O)C
Structure:
CAS RN: 5127-97-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H28O8
MOLECULAR WEIGHT: 444.47432
SMILES: CC(=O)OC1C2C=CC3C(C2C1OC(=O)C)C4C3C5C(C=C4)C(C5OC(=O)C)OC(=O)C
Structure:
CAS RN: 5811-34-7
CAS Name: 5-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,9-trione
OPENEYE Name: 5-(4-hydroxy-3-methoxy-phenyl)-7,7-dimethyl-5,6,8,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,9-trione
IUPAC Name: 5-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,9-trione
SYSTEMATIC NAME: 5-(3-methoxy-4-oxidanyl-phenyl)-7,7-dimethyl-5,6,8,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,9-trione
MOLECULAR FORMULA: C20H21N3O5
MOLECULAR WEIGHT: 383.39784
SMILES: CC1(CC2=C(C(=O)C1)NC3=C(C2C4=CC(=C(C=C4)O)OC)C(=O)NC(=O)N3)C
Structure:
CAS RN: 4986-01-0
CAS Name: 1-[1,3-benzodioxol-5-yl-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
OPENEYE Name: 1-[1,3-benzodioxol-5-yl-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
SYSTEMATIC NAME: 1-[1,3-benzodioxol-5-yl-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
MOLECULAR FORMULA: C21H26N2O4
MOLECULAR WEIGHT: 370.44214
SMILES: COC1=CC=CC(=C1OC)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4
Structure:
CAS RN: 5654-71-7
CAS Name: 2-[(7-nitro-4-oxo-3-quinazolinyl)methyl]benzonitrile
OPENEYE Name: 2-[(7-nitro-4-oxo-quinazolin-3-yl)methyl]benzonitrile
IUPAC Name: 2-[(7-nitro-4-oxoquinazolin-3-yl)methyl]benzonitrile
SYSTEMATIC NAME: 2-[(7-nitro-4-oxidanylidene-quinazolin-3-yl)methyl]benzenecarbonitrile
MOLECULAR FORMULA: C16H10N4O3
MOLECULAR WEIGHT: 306.2756
SMILES: C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C#N
Structure:
CAS RN: 4903-03-1
CAS Name: 3-[(2-fluorophenyl)methyl]-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
OPENEYE Name: 3-[(2-fluorophenyl)methyl]-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
IUPAC Name: 3-[(2-fluorophenyl)methyl]-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-[(2-fluorophenyl)methyl]-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
MOLECULAR FORMULA: C22H20FN5O2
MOLECULAR WEIGHT: 405.424903
SMILES: CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3F)N4CCCN(C4=N2)C5=CC=CC=C5
Structure:
CAS RN: 1629-23-8
CAS Name: N-(2-fluorophenyl)benzenecarbothioamide
OPENEYE Name: N-(2-fluorophenyl)benzenecarbothioamide
IUPAC Name: N-(2-fluorophenyl)benzenecarbothioamide
SYSTEMATIC NAME: N-(2-fluorophenyl)benzenecarbothioamide
MOLECULAR FORMULA: C13H10FNS
MOLECULAR WEIGHT: 231.288603
SMILES: C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2F
Structure:
CAS RN: 4789-44-0
CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2,4-dichlorophenyl)methylideneamino]-5-propyl-4-triazolecarboxamide
OPENEYE Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2,4-dichlorophenyl)methyleneamino]-5-propyl-triazole-4-carboxamide
IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2,4-dichlorophenyl)methylideneamino]-5-propyltriazole-4-carboxamide
SYSTEMATIC NAME: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(2,4-dichlorophenyl)methylideneamino]-5-propyl-1,2,3-triazole-4-carboxamide
MOLECULAR FORMULA: C15H14Cl2N8O2
MOLECULAR WEIGHT: 409.23006
SMILES: CCCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=C(C=C(C=C3)Cl)Cl
Structure:
CAS RN: 6712-84-1
CAS Name: 4-(2-furanyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid propan-2-yl ester
OPENEYE Name: isopropyl 4-(2-furyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
IUPAC Name: propan-2-yl 4-(furan-2-yl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: propan-2-yl 4-(furan-2-yl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: CC1=C(C(C2C(=O)CCC=C2N1)C3=CC=CO3)C(=O)OC(C)C
Structure:
CAS RN: 6524-59-0
CAS Name: 3-(3-chloro-4-methylanilino)-1-thiophen-2-yl-2-propen-1-one
OPENEYE Name: 3-(3-chloro-4-methyl-anilino)-1-(2-thienyl)prop-2-en-1-one
IUPAC Name: 3-(3-chloro-4-methylanilino)-1-thiophen-2-ylprop-2-en-1-one
SYSTEMATIC NAME: 3-[(3-chloranyl-4-methyl-phenyl)amino]-1-thiophen-2-yl-prop-2-en-1-one
MOLECULAR FORMULA: C14H12ClNOS
MOLECULAR WEIGHT: 277.76918
SMILES: CC1=C(C=C(C=C1)NC=CC(=O)C2=CC=CS2)Cl
Structure:
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