CAS RN: 3015-20-1
CAS Name: 1-[2-(1-methylethenyl)-5-benzofuranyl]ethanone
OPENEYE Name: 1-(2-isopropenylbenzofuran-5-yl)ethanone
IUPAC Name: 1-(2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone
SYSTEMATIC NAME: 1-(2-prop-1-en-2-yl-1-benzofuran-5-yl)ethanone
MOLECULAR FORMULA: C13H12O2
MOLECULAR WEIGHT: 200.23318
SMILES: CC(=C)C1=CC2=C(O1)C=CC(=C2)C(=O)C
Structure:
CAS RN: 3724-93-4
CAS Name: 5-(aminomethyl)-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-pyrrolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 5-(aminomethyl)-7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-pyrrolo[2,3-d]pyrimidin-4-one
IUPAC Name: 5-(aminomethyl)-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 5-(aminomethyl)-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C12H16N4O5
MOLECULAR WEIGHT: 296.27924
SMILES: C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)NC=NC2=O)CN
Structure:
CAS RN: 32795-47-4
CAS Name: but-2-enedioic acid; 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
OPENEYE Name: but-2-enedioic acid; 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
IUPAC Name: but-2-enedioic acid; 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
SYSTEMATIC NAME: but-2-enedioic acid; 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: CN1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O
Structure:
CAS RN: 59971-41-4
CAS Name: N-[3-(dimethylaminoazo)phenyl]acetamide
OPENEYE Name: N-[3-(dimethylaminoazo)phenyl]acetamide
IUPAC Name: N-[3-(dimethylaminodiazenyl)phenyl]acetamide
SYSTEMATIC NAME: N-[3-(dimethylaminodiazenyl)phenyl]ethanamide
MOLECULAR FORMULA: C10H14N4O
MOLECULAR WEIGHT: 206.24436
SMILES: CC(=O)NC1=CC=CC(=C1)N=NN(C)C
Structure:
CAS RN: 59794-33-1
CAS Name: 2-(2-sulfanylidene-1,3-benzothiazol-3-yl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(2-thioxo-1,3-benzothiazol-3-yl)acetate
IUPAC Name: ethyl 2-(2-sulfanylidene-1,3-benzothiazol-3-yl)acetate
SYSTEMATIC NAME: ethyl 2-(2-sulfanylidene-1,3-benzothiazol-3-yl)ethanoate
MOLECULAR FORMULA: C11H11NO2S2
MOLECULAR WEIGHT: 253.34054
SMILES: CCOC(=O)CN1C2=CC=CC=C2SC1=S
Structure:
CAS RN: 61265-38-1
CAS Name: 2-hydroxy-6-(5-methyl-3-imidazo[2,1-f]purinyl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol
OPENEYE Name: 2-hydroxy-6-(5-methylimidazo[2,1-f]purin-3-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
IUPAC Name: 2-hydroxy-6-(5-methylimidazo[2,1-f]purin-3-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
SYSTEMATIC NAME: 6-(5-methylimidazo[2,1-f]purin-3-yl)-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
MOLECULAR FORMULA: C13H14N5O6P
MOLECULAR WEIGHT: 367.253921
SMILES: CC1=NC2=C(C3=NC=CN13)N=CN2C4C(C5C(O4)COP(=O)(O5)O)O
Structure:
CAS RN: 61265-37-0
CAS Name: 3-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl)-4H-imidazo[2,1-f]purin-5-one
OPENEYE Name: 3-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-4H-imidazo[2,1-f]purin-5-one
IUPAC Name: 3-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-4H-imidazo[2,1-f]purin-5-one
SYSTEMATIC NAME: 3-[2,7-bis(oxidanyl)-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4H-imidazo[2,1-f]purin-5-one
MOLECULAR FORMULA: C12H12N5O7P
MOLECULAR WEIGHT: 369.226741
SMILES: C1C2C(C(C(O2)N3C=NC4=C3NC(=O)N5C4=NC=C5)O)OP(=O)(O1)O
Structure:
CAS RN: 33211-22-2
CAS Name: 2,8-dichloro-9-hydroxy-3-methoxy-1,4,7,10-tetramethyl-6-benzo[b][1,4]benzodioxepinone
OPENEYE Name: 2,8-dichloro-9-hydroxy-3-methoxy-1,4,7,10-tetramethyl-benzo[b][1,4]benzodioxepin-6-one
IUPAC Name: 2,8-dichloro-9-hydroxy-3-methoxy-1,4,7,10-tetramethylbenzo[b][1,4]benzodioxepin-6-one
SYSTEMATIC NAME: 2,8-bis(chloranyl)-3-methoxy-1,4,7,10-tetramethyl-9-oxidanyl-benzo[b][1,4]benzodioxepin-6-one
MOLECULAR FORMULA: C18H16Cl2O5
MOLECULAR WEIGHT: 383.22264
SMILES: CC1=C2C(=C(C(=C1Cl)O)C)OC3=C(C(=C(C(=C3OC2=O)C)OC)Cl)C
Structure:
CAS RN: 60042-56-0
CAS Name: formic acid [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [17-[4-(1-adamantylamino)-1-methyl-4-oxo-butyl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
IUPAC Name: [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
SYSTEMATIC NAME: [17-[5-(1-adamantylamino)-5-oxidanylidene-pentan-2-yl]-7,12-dimethanoyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methanoate
MOLECULAR FORMULA: C37H55NO7
MOLECULAR WEIGHT: 625.8351
SMILES: CC(CCC(=O)NC12CC3CC(C1)CC(C3)C2)C4CCC5C4(C(CC6C5C(CC7C6(CCC(C7)OC=O)C)OC=O)OC=O)C
Structure:
CAS RN: 39780-91-1
CAS Name: formic acid [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [17-[4-(1-adamantylamino)-1-methyl-4-oxo-butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
IUPAC Name: [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
SYSTEMATIC NAME: [17-[5-(1-adamantylamino)-5-oxidanylidene-pentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methanoate
MOLECULAR FORMULA: C35H55NO3
MOLECULAR WEIGHT: 537.8161
SMILES: CC(CCC(=O)NC12CC3CC(C1)CC(C3)C2)C4CCC5C4(CCC6C5CCC7C6(CCC(C7)OC=O)C)C
Structure:
CAS RN: 60042-55-9
CAS Name: formic acid [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-12-formyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [17-[4-(1-adamantylamino)-1-methyl-4-oxo-butyl]-12-formyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
IUPAC Name: [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-12-formyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
SYSTEMATIC NAME: [17-[5-(1-adamantylamino)-5-oxidanylidene-pentan-2-yl]-12-methanoyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methanoate
MOLECULAR FORMULA: C36H55NO5
MOLECULAR WEIGHT: 581.8256
SMILES: CC(CCC(=O)NC12CC3CC(C1)CC(C3)C2)C4CCC5C4(C(CC6C5CCC7C6(CCC(C7)OC=O)C)OC=O)C
Structure:
CAS RN: 70486-26-9
CAS Name: [4-(2-pyridinyl)-1-piperazinyl]methylidenecyanamide
OPENEYE Name: [4-(2-pyridyl)piperazin-1-yl]methylenecyanamide
IUPAC Name: (4-pyridin-2-ylpiperazin-1-yl)methylidenecyanamide
SYSTEMATIC NAME: (4-pyridin-2-ylpiperazin-1-yl)methylidenecyanamide
MOLECULAR FORMULA: C11H13N5
MOLECULAR WEIGHT: 215.25442
SMILES: C1CN(CCN1C=NC#N)C2=CC=CC=N2
Structure:
CAS RN: 70486-24-7
CAS Name: [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methylidenecyanamide
OPENEYE Name: [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methylenecyanamide
IUPAC Name: [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methylidenecyanamide
SYSTEMATIC NAME: [4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methylidenecyanamide
MOLECULAR FORMULA: C13H12ClN3
MOLECULAR WEIGHT: 245.70748
SMILES: C1CN(CC=C1C2=CC=C(C=C2)Cl)C=NC#N
Structure:
CAS RN: 76235-27-3
CAS Name: acetic acid [5-acetamido-3,4-diacetyloxy-6-(dimethylarsinothio)-2-oxanyl]methyl ester
OPENEYE Name: (5-acetamido-3,4-diacetoxy-6-dimethylarsanylsulfanyl-tetrahydropyran-2-yl)methyl acetate
IUPAC Name: (5-acetamido-3,4-diacetyloxy-6-dimethylarsanylsulfanyloxan-2-yl)methyl acetate
SYSTEMATIC NAME: (5-acetamido-3,4-diacetyloxy-6-dimethylarsanylsulfanyl-oxan-2-yl)methyl ethanoate
MOLECULAR FORMULA: C16H26AsNO8S
MOLECULAR WEIGHT: 467.36614
SMILES: CC(=O)NC1C(C(C(OC1S[As](C)C)COC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 37107-20-3
CAS Name: N-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]acetamide
OPENEYE Name: N-[1-(4-chlorophenyl)-2,5-dioxo-pyrrolidin-3-yl]acetamide
IUPAC Name: N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SYSTEMATIC NAME: N-[1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]ethanamide
MOLECULAR FORMULA: C12H11ClN2O3
MOLECULAR WEIGHT: 266.68034
SMILES: CC(=O)NC1CC(=O)N(C1=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 41148-83-8
CAS Name: N-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]acetamide
OPENEYE Name: N-[1-(4-chlorophenyl)-2,5-dioxo-pyrrolidin-3-yl]acetamide
IUPAC Name: N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SYSTEMATIC NAME: N-[1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]ethanamide
MOLECULAR FORMULA: C12H11ClN2O3
MOLECULAR WEIGHT: 266.68034
SMILES: CC(=O)NC1CC(=O)N(C1=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 62271-08-3
CAS Name: 3,5-dichloro-2-[2-(2-ethoxyethoxy)ethoxy]-6-fluoropyridine
OPENEYE Name: 3,5-dichloro-2-[2-(2-ethoxyethoxy)ethoxy]-6-fluoro-pyridine
IUPAC Name: 3,5-dichloro-2-[2-(2-ethoxyethoxy)ethoxy]-6-fluoropyridine
SYSTEMATIC NAME: 3,5-bis(chloranyl)-2-[2-(2-ethoxyethoxy)ethoxy]-6-fluoranyl-pyridine
MOLECULAR FORMULA: C11H14Cl2FNO3
MOLECULAR WEIGHT: 298.138163
SMILES: CCOCCOCCOC1=NC(=C(C=C1Cl)Cl)F
Structure:
CAS RN: 60835-73-6
CAS Name: 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxaldehyde
OPENEYE Name: 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbaldehyde
IUPAC Name: 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbaldehyde
SYSTEMATIC NAME: 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbaldehyde
MOLECULAR FORMULA: C15H20O6
MOLECULAR WEIGHT: 296.3157
SMILES: C1COCCOC2=C(C=C(C=C2)C=O)OCCOCCO1
Structure:
CAS RN: 60825-13-0
CAS Name: 2-(6-aminopurin-9-yl)-3,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
OPENEYE Name: 2-(6-aminopurin-9-yl)-3,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
IUPAC Name: 2-(6-aminopurin-9-yl)-3,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)-3,7-bis(oxidanyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
MOLECULAR FORMULA: C13H15N5O6
MOLECULAR WEIGHT: 337.2881
SMILES: C1C(C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)OC1C(=O)O)O
Structure:
CAS RN: 36067-29-5
CAS Name: N-methylcarbamic acid [6-ethyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] ester
OPENEYE Name: [6-ethyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] N-methylcarbamate
IUPAC Name: [6-ethyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] N-methylcarbamate
SYSTEMATIC NAME: [6-ethyl-5-oxidanylidene-6-(4-phenylphenyl)-2H-pyran-2-yl] N-methylcarbamate
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: CCC1(C(=O)C=CC(O1)OC(=O)NC)C2=CC=C(C=C2)C3=CC=CC=C3
Structure:
CAS RN: 37388-26-4
CAS Name: 2-amino-6,7-dimethoxy-1-methyl-3-isoquinolinone
OPENEYE Name: 2-amino-6,7-dimethoxy-1-methyl-isoquinolin-3-one
IUPAC Name: 2-amino-6,7-dimethoxy-1-methylisoquinolin-3-one
SYSTEMATIC NAME: 2-azanyl-6,7-dimethoxy-1-methyl-isoquinolin-3-one
MOLECULAR FORMULA: C12H14N2O3
MOLECULAR WEIGHT: 234.25116
SMILES: CC1=C2C=C(C(=CC2=CC(=O)N1N)OC)OC
Structure:
CAS RN: 59797-07-8
CAS Name: 1,3,5,7-tetramethylpyrido[2,3-d]pyrimidine-2,4-dione
OPENEYE Name: 1,3,5,7-tetramethylpyrido[2,3-d]pyrimidine-2,4-dione
IUPAC Name: 1,3,5,7-tetramethylpyrido[2,3-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1,3,5,7-tetramethylpyrido[2,3-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H13N3O2
MOLECULAR WEIGHT: 219.23982
SMILES: CC1=CC(=NC2=C1C(=O)N(C(=O)N2C)C)C
Structure:
CAS RN: 59796-99-5
CAS Name: 1,3-dimethyl-5,7-diphenylpyrido[2,3-d]pyrimidine-2,4-dione
OPENEYE Name: 1,3-dimethyl-5,7-diphenyl-pyrido[2,3-d]pyrimidine-2,4-dione
IUPAC Name: 1,3-dimethyl-5,7-diphenylpyrido[2,3-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1,3-dimethyl-5,7-diphenyl-pyrido[2,3-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C21H17N3O2
MOLECULAR WEIGHT: 343.37858
SMILES: CN1C2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N(C1=O)C
Structure:
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