CAS RN: 5029-18-5
CAS Name: acetic acid (16-hydroxy-3-methoxy-13,16-dimethyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) ester
OPENEYE Name: (16-hydroxy-3-methoxy-13,16-dimethyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) acetate
IUPAC Name: (16-hydroxy-3-methoxy-13,16-dimethyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) acetate
SYSTEMATIC NAME: (3-methoxy-13,16-dimethyl-16-oxidanyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) ethanoate
MOLECULAR FORMULA: C22H30O4
MOLECULAR WEIGHT: 358.4712
SMILES: CC(=O)OC1C2(CCC3C(C2CC1(C)O)CCC4=C3C=CC(=C4)OC)C
Structure:
CAS RN: 5021-82-9
CAS Name: 4-[5,7-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-yl]-1-butanamine
OPENEYE Name: 4-[5,7-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-yl]butan-1-amine
IUPAC Name: 4-[5,7-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-yl]butan-1-amine
SYSTEMATIC NAME: 4-[5,7-bis(chloranyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-yl]butan-1-amine
MOLECULAR FORMULA: C20H20Cl2N2O2
MOLECULAR WEIGHT: 391.291
SMILES: C1COC2=C(O1)C=CC(=C2)C3=C(C4=CC(=CC(=C4N3)Cl)Cl)CCCCN
Structure:
CAS RN: 5726-10-3
CAS Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
OPENEYE Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyleneamino]-2-(2-methoxyphenoxy)acetamide
IUPAC Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
SYSTEMATIC NAME: N-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methylideneamino]-2-(2-methoxyphenoxy)ethanamide
MOLECULAR FORMULA: C24H21BrCl2N2O5
MOLECULAR WEIGHT: 568.24394
SMILES: COC1=CC=CC=C1OCC(=O)NN=CC2=CC(=C(C(=C2)Br)OCC3=C(C=C(C=C3)Cl)Cl)OC
Structure:
CAS RN: 5400-26-0
CAS Name: 4-(phenylsulfamoyl)benzoic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester
OPENEYE Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 4-(phenylsulfamoyl)benzoate
IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
SYSTEMATIC NAME: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(phenylsulfamoyl)benzoate
MOLECULAR FORMULA: C23H28N2O5S
MOLECULAR WEIGHT: 444.54382
SMILES: CC1CCCC(C1C)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3
Structure:
CAS RN: 5363-42-8
CAS Name: 5-(3,4-dimethylphenyl)-N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide
OPENEYE Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
SYSTEMATIC NAME: 5-(3,4-dimethylphenyl)-N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]furan-2-carboxamide
MOLECULAR FORMULA: C25H25N5O2S2
MOLECULAR WEIGHT: 491.6283
SMILES: CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)C)C)SCC4=CC=CC=C4
Structure:
CAS RN: 6384-97-0
CAS Name: N-[4-(4-fluorophenyl)-2-thiazolyl]decanamide
OPENEYE Name: N-[4-(4-fluorophenyl)thiazol-2-yl]decanamide
IUPAC Name: N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]decanamide
SYSTEMATIC NAME: N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]decanamide
MOLECULAR FORMULA: C19H25FN2OS
MOLECULAR WEIGHT: 348.478003
SMILES: CCCCCCCCCC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)F
Structure:
CAS RN: 6208-93-1
CAS Name: 5-bromo-N-(2,2-dimethoxyethyl)-N-methyl-1-(1-oxopropyl)-2,3-dihydroindole-7-sulfonamide
OPENEYE Name: 5-bromo-N-(2,2-dimethoxyethyl)-N-methyl-1-propanoyl-indoline-7-sulfonamide
IUPAC Name: 5-bromo-N-(2,2-dimethoxyethyl)-N-methyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
SYSTEMATIC NAME: 5-bromanyl-N-(2,2-dimethoxyethyl)-N-methyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
MOLECULAR FORMULA: C16H23BrN2O5S
MOLECULAR WEIGHT: 435.33322
SMILES: CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N(C)CC(OC)OC)Br
Structure:
CAS RN: 6263-82-7
CAS Name: 4-oxo-N-[4-(4-phenylphenyl)-2-thiazolyl]-1-benzopyran-3-carboxamide
OPENEYE Name: 4-oxo-N-[4-(4-phenylphenyl)thiazol-2-yl]chromene-3-carboxamide
IUPAC Name: 4-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromene-3-carboxamide
SYSTEMATIC NAME: 4-oxidanylidene-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromene-3-carboxamide
MOLECULAR FORMULA: C25H16N2O3S
MOLECULAR WEIGHT: 424.47114
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=COC5=CC=CC=C5C4=O
Structure:
CAS RN: 6263-21-4
CAS Name: N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(1-piperidinylsulfonyl)benzamide
OPENEYE Name: N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(1-piperidylsulfonyl)benzamide
IUPAC Name: N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonylbenzamide
SYSTEMATIC NAME: N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonyl-benzamide
MOLECULAR FORMULA: C21H23N3O4S2
MOLECULAR WEIGHT: 445.55502
SMILES: CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)OC
Structure:
CAS RN: 6591-75-9
CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-[4-(N-phenylanilino)phenyl]-2-propenamide
OPENEYE Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-cyano-3-[4-(N-phenylanilino)phenyl]prop-2-enamide
IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-[4-(N-phenylanilino)phenyl]prop-2-enamide
SYSTEMATIC NAME: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-cyano-3-[4-(diphenylamino)phenyl]prop-2-enamide
MOLECULAR FORMULA: C30H24ClN3O2
MOLECULAR WEIGHT: 493.98346
SMILES: CC1=CC(=C(C=C1Cl)OC)NC(=O)C(=CC2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=CC=C4)C#N
Structure:
CAS RN: 5929-15-7
CAS Name: 2-[[6-chloro-2-[4-(4-chlorophenyl)sulfonyloxy-3-methoxyphenyl]-3-imidazo[1,2-a]pyridinyl]amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[[6-chloro-2-[4-(4-chlorophenyl)sulfonyloxy-3-methoxy-phenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate
IUPAC Name: ethyl 2-[[6-chloro-2-[4-(4-chlorophenyl)sulfonyloxy-3-methoxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate
SYSTEMATIC NAME: ethyl 2-[[6-chloranyl-2-[4-(4-chlorophenyl)sulfonyloxy-3-methoxy-phenyl]imidazo[1,2-a]pyridin-3-yl]amino]ethanoate
MOLECULAR FORMULA: C24H21Cl2N3O6S
MOLECULAR WEIGHT: 550.41104
SMILES: CCOC(=O)CNC1=C(N=C2N1C=C(C=C2)Cl)C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl)OC
Structure:
CAS RN: 5926-70-5
CAS Name: 2-ethyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-propylhexanamide
OPENEYE Name: 2-ethyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxo-propyl]-N-propyl-hexanamide
IUPAC Name: 2-ethyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-propylhexanamide
SYSTEMATIC NAME: 2-ethyl-N-[3-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxidanylidene-propyl]-N-propyl-hexanamide
MOLECULAR FORMULA: C23H34N4O3S
MOLECULAR WEIGHT: 446.60606
SMILES: CCCCC(CC)C(=O)N(CCC)CCC(=O)NC1=NN=C(S1)C2=CC(=CC=C2)OC
Structure:
CAS RN: 5148-62-9
CAS Name: 6-tert-butyl-2-(4-tert-butylphenyl)-4-quinolinecarboxylic acid
OPENEYE Name: 6-tert-butyl-2-(4-tert-butylphenyl)quinoline-4-carboxylic acid
IUPAC Name: 6-tert-butyl-2-(4-tert-butylphenyl)quinoline-4-carboxylic acid
SYSTEMATIC NAME: 6-tert-butyl-2-(4-tert-butylphenyl)quinoline-4-carboxylic acid
MOLECULAR FORMULA: C24H27NO2
MOLECULAR WEIGHT: 361.47668
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(C)(C)C)C(=C2)C(=O)O
Structure:
CAS RN: 6414-28-4
CAS Name: N-(2,4-dibromo-6-methylphenyl)-4-methylbenzamide
OPENEYE Name: N-(2,4-dibromo-6-methyl-phenyl)-4-methyl-benzamide
IUPAC Name: N-(2,4-dibromo-6-methylphenyl)-4-methylbenzamide
SYSTEMATIC NAME: N-[2,4-bis(bromanyl)-6-methyl-phenyl]-4-methyl-benzamide
MOLECULAR FORMULA: C15H13Br2NO
MOLECULAR WEIGHT: 383.07782
SMILES: CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2C)Br)Br
Structure:
CAS RN: 6131-13-1
CAS Name: 5-acetyl-4-methyl-6-phenyl-3-(phenylmethyl)-1,6-dihydropyrimidin-2-one
OPENEYE Name: 5-acetyl-3-benzyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
IUPAC Name: 5-acetyl-3-benzyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
SYSTEMATIC NAME: 5-ethanoyl-4-methyl-6-phenyl-3-(phenylmethyl)-1,6-dihydropyrimidin-2-one
MOLECULAR FORMULA: C20H20N2O2
MOLECULAR WEIGHT: 320.385
SMILES: CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)C
Structure:
CAS RN: 5265-03-2
CAS Name: carbon monoxide; iron(3+); 2,3,4,5-tetrakis(diethylamino)-1-cyclopenta-2,4-dienone
OPENEYE Name: ferric; carbon monoxide; 2,3,4,5-tetrakis(diethylamino)cyclopenta-2,4-dien-1-one
IUPAC Name: carbon monoxide; iron(3+); 2,3,4,5-tetrakis(diethylamino)cyclopenta-2,4-dien-1-one
SYSTEMATIC NAME: carbon monoxide; iron(3+); 2,3,4,5-tetrakis(diethylamino)cyclopenta-2,4-dien-1-one
MOLECULAR FORMULA: C24H40FeN4O4+3
MOLECULAR WEIGHT: 504.4438
SMILES: CCN(CC)C1=C(C(=O)C(=C1N(CC)CC)N(CC)CC)N(CC)CC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+3]
Structure:
CAS RN: 23511-50-4
CAS Name: 2-chloro-N-cycloheptylacetamide
OPENEYE Name: 2-chloro-N-cycloheptyl-acetamide
IUPAC Name: 2-chloro-N-cycloheptylacetamide
SYSTEMATIC NAME: 2-chloranyl-N-cycloheptyl-ethanamide
MOLECULAR FORMULA: C9H16ClNO
MOLECULAR WEIGHT: 189.68244
SMILES: C1CCCC(CC1)NC(=O)CCl
Structure:
CAS RN: 91348-71-9
CAS Name: 6-[[5-bromo-2-(ethylthio)-4-pyrimidinyl]thio]-7H-purin-2-amine
OPENEYE Name: 6-(5-bromo-2-ethylsulfanyl-pyrimidin-4-yl)sulfanyl-7H-purin-2-amine
IUPAC Name: 6-(5-bromo-2-ethylsulfanylpyrimidin-4-yl)sulfanyl-7H-purin-2-amine
SYSTEMATIC NAME: 6-(5-bromanyl-2-ethylsulfanyl-pyrimidin-4-yl)sulfanyl-7H-purin-2-amine
MOLECULAR FORMULA: C11H10BrN7S2
MOLECULAR WEIGHT: 384.278
SMILES: CCSC1=NC=C(C(=N1)SC2=NC(=NC3=C2NC=N3)N)Br
Structure:
CAS RN: 5006-32-6
CAS Name: 1-[2-pyridinyl(3-pyridinyl)methyl]piperazine
OPENEYE Name: 1-[2-pyridyl(3-pyridyl)methyl]piperazine
IUPAC Name: 1-[pyridin-2-yl(pyridin-3-yl)methyl]piperazine
SYSTEMATIC NAME: 1-[pyridin-2-yl(pyridin-3-yl)methyl]piperazine
MOLECULAR FORMULA: C15H18N4
MOLECULAR WEIGHT: 254.33022
SMILES: C1CN(CCN1)C(C2=CN=CC=C2)C3=CC=CC=N3
Structure:
CAS RN: 5979-24-8
CAS Name: 2-chloro-N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-nitro-N-propan-2-ylbenzamide
OPENEYE Name: 2-chloro-N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxo-ethyl]-N-isopropyl-4-nitro-benzamide
IUPAC Name: 2-chloro-N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-4-nitro-N-propan-2-ylbenzamide
SYSTEMATIC NAME: 2-chloranyl-N-[2-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxidanylidene-ethyl]-4-nitro-N-propan-2-yl-benzamide
MOLECULAR FORMULA: C29H24Cl2N4O4
MOLECULAR WEIGHT: 563.43126
SMILES: CC(C)N(CC(=O)N1C(C2=CC=CN2C3=CC=CC=C31)C4=CC(=CC=C4)Cl)C(=O)C5=C(C=C(C=C5)[N+](=O)[O-])Cl
Structure:
CAS RN: 6355-85-7
CAS Name: 2,3-dihydroindol-1-yl-[3-methyl-2-(4-methylphenyl)-4-quinolinyl]methanone
OPENEYE Name: indolin-1-yl-[3-methyl-2-(p-tolyl)-4-quinolyl]methanone
IUPAC Name: 2,3-dihydroindol-1-yl-[3-methyl-2-(4-methylphenyl)quinolin-4-yl]methanone
SYSTEMATIC NAME: 2,3-dihydroindol-1-yl-[3-methyl-2-(4-methylphenyl)quinolin-4-yl]methanone
MOLECULAR FORMULA: C26H22N2O
MOLECULAR WEIGHT: 378.46568
SMILES: CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)N4CCC5=CC=CC=C54
Structure:
CAS RN: 6175-42-4
CAS Name: 1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]thiourea
OPENEYE Name: 1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]thiourea
IUPAC Name: 1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]thiourea
SYSTEMATIC NAME: 1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]thiourea
MOLECULAR FORMULA: C23H23BrN2O2S
MOLECULAR WEIGHT: 471.40992
SMILES: COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)Br)C(=S)NC3=CC(=CC=C3)OC
Structure:
CAS RN: 6100-49-8
CAS Name: 3-[2-(2-hydroxyethoxy)ethenyl]benzoic acid [6-[[2-[[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester
OPENEYE Name: [6-[2-[[4-tert-butoxy-1-(hydroxymethyl)-4-oxo-butyl]carbamoyl]pyrrolidine-1-carbonyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(2-hydroxyethoxy)vinyl]benzoate
IUPAC Name: [6-[2-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(2-hydroxyethoxy)ethenyl]benzoate
SYSTEMATIC NAME: [6-[2-[[5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]carbonyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(2-hydroxyethyloxy)ethenyl]benzoate
MOLECULAR FORMULA: C33H44N2O11
MOLECULAR WEIGHT: 644.70926
SMILES: CC(C)(C)OC(=O)CCC(CO)NC(=O)C1CCCN1C(=O)C2=CC3C(C(C2)OC(=O)C4=CC=CC(=C4)C=COCCO)OCO3
Structure:
CAS RN: 6570-96-3
CAS Name: 2-[[3-(4-butoxy-3-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[[3-(4-butoxy-3-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
IUPAC Name: ethyl 2-[[3-(4-butoxy-3-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[3-(4-butoxy-3-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C29H30N2O6S
MOLECULAR WEIGHT: 534.6233
SMILES: CCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)OCC)OC
Structure:
CAS RN: 6570-35-0
CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide
OPENEYE Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide
IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C26H26N4O3S3
MOLECULAR WEIGHT: 538.70464
SMILES: CC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4)S(=O)(=O)N5CCCCC5
Structure:
CAS RN: 6566-67-2
CAS Name: 2-[1-(butan-2-ylamino)pentylidene]-5,5-dimethylcyclohexane-1,3-dione
OPENEYE Name: 5,5-dimethyl-2-[1-(sec-butylamino)pentylidene]cyclohexane-1,3-dione
IUPAC Name: 2-[1-(butan-2-ylamino)pentylidene]-5,5-dimethylcyclohexane-1,3-dione
SYSTEMATIC NAME: 2-[1-(butan-2-ylamino)pentylidene]-5,5-dimethyl-cyclohexane-1,3-dione
MOLECULAR FORMULA: C17H29NO2
MOLECULAR WEIGHT: 279.41766
SMILES: CCCCC(=C1C(=O)CC(CC1=O)(C)C)NC(C)CC
Structure:
CAS RN: 6506-56-5
CAS Name: 3-[4-(4,6-dimethyl-2-pyrimidinyl)-1-piperazinyl]-1,7-dimethyl-4-nitrobenzofuro[2,3-c]pyridine
OPENEYE Name: 3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,7-dimethyl-4-nitro-benzofuro[2,3-c]pyridine
IUPAC Name: 3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,7-dimethyl-4-nitro-[1]benzofuro[2,3-c]pyridine
SYSTEMATIC NAME: 3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,7-dimethyl-4-nitro-[1]benzofuro[2,3-c]pyridine
MOLECULAR FORMULA: C23H24N6O3
MOLECULAR WEIGHT: 432.47506
SMILES: CC1=CC2=C(C=C1)C3=C(C(=NC(=C3O2)C)N4CCN(CC4)C5=NC(=CC(=N5)C)C)[N+](=O)[O-]
Structure:
CAS RN: 5729-21-5
CAS Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]thio]-N-(4-ethoxyphenyl)acetamide
OPENEYE Name: 2-[[5-(3-chlorobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
IUPAC Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
SYSTEMATIC NAME: 2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)ethanamide
MOLECULAR FORMULA: C20H16ClN3O3S2
MOLECULAR WEIGHT: 445.94234
SMILES: CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=C(C4=CC=CC=C4S3)Cl
Structure:
CAS RN: 6214-03-5
CAS Name: 2-(5-ethoxy-1,3-benzothiazol-2-yl)-4,5-dimethoxyisoindole-1,3-dione
OPENEYE Name: 2-(5-ethoxy-1,3-benzothiazol-2-yl)-4,5-dimethoxy-isoindoline-1,3-dione
IUPAC Name: 2-(5-ethoxy-1,3-benzothiazol-2-yl)-4,5-dimethoxyisoindole-1,3-dione
SYSTEMATIC NAME: 2-(5-ethoxy-1,3-benzothiazol-2-yl)-4,5-dimethoxy-isoindole-1,3-dione
MOLECULAR FORMULA: C19H16N2O5S
MOLECULAR WEIGHT: 384.40574
SMILES: CCOC1=CC2=C(C=C1)SC(=N2)N3C(=O)C4=C(C3=O)C(=C(C=C4)OC)OC
Structure:
CAS RN: 6350-67-0
CAS Name: N-(butan-2-ylideneamino)-3,4-dimethylbenzamide
OPENEYE Name: 3,4-dimethyl-N-(1-methylpropylideneamino)benzamide
IUPAC Name: N-(butan-2-ylideneamino)-3,4-dimethylbenzamide
SYSTEMATIC NAME: N-(butan-2-ylideneamino)-3,4-dimethyl-benzamide
MOLECULAR FORMULA: C13H18N2O
MOLECULAR WEIGHT: 218.29482
SMILES: CCC(=NNC(=O)C1=CC(=C(C=C1)C)C)C
Structure:
CAS RN: 6350-66-9
CAS Name: N-[4-(3,4-dichlorophenyl)-2-thiazolyl]-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide
OPENEYE Name: N-[4-(3,4-dichlorophenyl)thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
IUPAC Name: N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
SYSTEMATIC NAME: N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C27H19Cl2N3OS
MOLECULAR WEIGHT: 504.43026
SMILES: CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC(=CS4)C5=CC(=C(C=C5)Cl)Cl)C
Structure:
CAS RN: 6472-29-3
CAS Name: 5-amino-1-[6-(4-methylphenoxy)-2-(methylthio)-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarbonitrile
OPENEYE Name: 5-amino-1-[6-(4-methylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile
IUPAC Name: 5-amino-1-[6-(4-methylphenoxy)-2-methylsulfanylpyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carbonitrile
SYSTEMATIC NAME: 5-azanyl-1-[6-(4-methylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carbonitrile
MOLECULAR FORMULA: C17H16N6OS2
MOLECULAR WEIGHT: 384.47854
SMILES: CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3C(=C(C(=N3)SC)C#N)N)SC
Structure:
CAS RN: 6102-52-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H45N3O9
MOLECULAR WEIGHT: 735.8214
SMILES: C1CC2C(O2)CC1C=CC3=CC=C(C=C3)CN4C5C(=O)OC6CC5(C(O4)C7C6OC(O7)(C8=CC=CC=C8)C9=CC=CC=C9)C(=O)NCCC(=O)NCCO
Structure:
CAS RN: 6758-57-2
CAS Name: 2-[3-(1-piperidin-1-iumyl)propyl]-1H-benzimidazole
OPENEYE Name: 2-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazole
IUPAC Name: 2-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazole
MOLECULAR FORMULA: C15H22N3+
MOLECULAR WEIGHT: 244.35528
SMILES: C1CC[NH+](CC1)CCCC2=NC3=CC=CC=C3N2
Structure:
CAS RN: 5977-74-2
CAS Name: 3,5,5-trimethyl-N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]hexanamide
OPENEYE Name: N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethyl-hexanamide
IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3,5,5-trimethylhexanamide
SYSTEMATIC NAME: 3,5,5-trimethyl-N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]hexanamide
MOLECULAR FORMULA: C26H34N4OS
MOLECULAR WEIGHT: 450.63936
SMILES: CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)CC(C)CC(C)(C)C
Structure:
CAS RN: 6737-12-8
CAS Name: 4-(6-fluoro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoate
OPENEYE Name: 4-(6-fluoro-4-oxo-2-thioxo-1H-quinazolin-3-yl)benzoate
IUPAC Name: 4-(6-fluoro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoate
SYSTEMATIC NAME: 4-(6-fluoranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzoate
MOLECULAR FORMULA: C15H8FN2O3S-
MOLECULAR WEIGHT: 315.299023
SMILES: C1=CC(=CC=C1C(=O)[O-])N2C(=O)C3=C(C=CC(=C3)F)NC2=S
Structure:
CAS RN: 6182-51-0
CAS Name: N-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide
OPENEYE Name: N-[[4-(2-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide
IUPAC Name: N-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide
SYSTEMATIC NAME: N-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide
MOLECULAR FORMULA: C17H15ClN4OS
MOLECULAR WEIGHT: 358.8452
SMILES: CC1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3Cl
Structure:
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