CAS RN: 28892-68-4
CAS Name: 2-hydroxy-2-methylpentanoic acid
OPENEYE Name: 2-hydroxy-2-methyl-pentanoic acid
IUPAC Name: 2-hydroxy-2-methylpentanoic acid
SYSTEMATIC NAME: 2-methyl-2-oxidanyl-pentanoic acid
MOLECULAR FORMULA: C6H12O3
MOLECULAR WEIGHT: 132.15768
SMILES: CCCC(C)(C(=O)O)O
Structure:
CAS RN: 37636-10-5
CAS Name: 3,4-dihydroxybutylphosphonic acid
OPENEYE Name: 3,4-dihydroxybutylphosphonic acid
IUPAC Name: 3,4-dihydroxybutylphosphonic acid
SYSTEMATIC NAME: 3,4-bis(oxidanyl)butylphosphonic acid
MOLECULAR FORMULA: C4H11O5P
MOLECULAR WEIGHT: 170.100901
SMILES: C(CP(=O)(O)O)C(CO)O
Structure:
CAS RN: 28907-30-4
CAS Name: 10H-benzo[b][1,8]naphthyridin-5-one
OPENEYE Name: 10H-benzo[b][1,8]naphthyridin-5-one
IUPAC Name: 10H-benzo[b][1,8]naphthyridin-5-one
SYSTEMATIC NAME: 10H-benzo[b][1,8]naphthyridin-5-one
MOLECULAR FORMULA: C12H8N2O
MOLECULAR WEIGHT: 196.20472
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(N2)N=CC=C3
Structure:
CAS RN: 57471-69-9
CAS Name: 2-aminobutanediamide
OPENEYE Name: 2-aminobutanediamide
IUPAC Name: 2-aminobutanediamide
SYSTEMATIC NAME: 2-azanylbutanediamide
MOLECULAR FORMULA: C4H9N3O2
MOLECULAR WEIGHT: 131.13316
SMILES: C(C(C(=O)N)N)C(=O)N
Structure:
CAS RN: 20727-65-5
CAS Name: 2-[(2-amino-1-oxopropyl)amino]butanedioic acid
OPENEYE Name: 2-(2-aminopropanoylamino)butanedioic acid
IUPAC Name: 2-(2-aminopropanoylamino)butanedioic acid
SYSTEMATIC NAME: 2-(2-azanylpropanoylamino)butanedioic acid
MOLECULAR FORMULA: C7H12N2O5
MOLECULAR WEIGHT: 204.18058
SMILES: CC(C(=O)NC(CC(=O)O)C(=O)O)N
Structure:
CAS RN: 32304-33-9
CAS Name: 3,5-dimethyl-7-bicyclo[4.2.0]octa-1,3,5-trienamine
OPENEYE Name: 3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-amine
IUPAC Name: 3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-amine
SYSTEMATIC NAME: 3,5-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-amine
MOLECULAR FORMULA: C10H13N
MOLECULAR WEIGHT: 147.21692
SMILES: CC1=CC(=C2C(CC2=C1)N)C
Structure:
CAS RN: 16643-46-2
CAS Name: 3,3,5,6-tetraphenyl-2H-inden-1-one
OPENEYE Name: 3,3,5,6-tetraphenylindan-1-one
IUPAC Name: 3,3,5,6-tetraphenyl-2H-inden-1-one
SYSTEMATIC NAME: 3,3,5,6-tetraphenyl-2H-inden-1-one
MOLECULAR FORMULA: C33H24O
MOLECULAR WEIGHT: 436.54306
SMILES: C1C(=O)C2=C(C1(C3=CC=CC=C3)C4=CC=CC=C4)C=C(C(=C2)C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 7800-93-3
CAS Name: 2,3-diphenyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione
OPENEYE Name: 2,3-diphenyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione
IUPAC Name: 2,3-diphenyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione
SYSTEMATIC NAME: 2,3-diphenyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione
MOLECULAR FORMULA: C26H20O2
MOLECULAR WEIGHT: 364.4358
SMILES: C1C2C(CC(=C1C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5C2=O
Structure:
CAS RN: 58976-88-8
CAS Name: acetic acid (5,12-dihydroxy-6,11-dioxo-1,4-dihydrotetracen-1-yl) ester
OPENEYE Name: (5,12-dihydroxy-6,11-dioxo-1,4-dihydrotetracen-1-yl) acetate
IUPAC Name: (5,12-dihydroxy-6,11-dioxo-1,4-dihydrotetracen-1-yl) acetate
SYSTEMATIC NAME: [5,12-bis(oxidanyl)-6,11-bis(oxidanylidene)-1,4-dihydrotetracen-1-yl] ethanoate
MOLECULAR FORMULA: C20H14O6
MOLECULAR WEIGHT: 350.32156
SMILES: CC(=O)OC1C=CCC2=C(C3=C(C(=C12)O)C(=O)C4=CC=CC=C4C3=O)O
Structure:
CAS RN: 31022-10-3
CAS Name: 2-[(phenylmethyl)amino]propanoic acid methyl ester
OPENEYE Name: methyl 2-(benzylamino)propanoate
IUPAC Name: methyl 2-(benzylamino)propanoate
SYSTEMATIC NAME: methyl 2-[(phenylmethyl)amino]propanoate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CC(C(=O)OC)NCC1=CC=CC=C1
Structure:
CAS RN: 136242-98-3
CAS Name: 2-[[[4-[(2,4-diamino-5-ethyl-6-quinazolinyl)methylamino]phenyl]-oxomethyl]amino]butanedioic acid
OPENEYE Name: 2-[[4-[(2,4-diamino-5-ethyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
IUPAC Name: 2-[[4-[(2,4-diamino-5-ethylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2,4-bis(azanyl)-5-ethyl-quinazolin-6-yl]methylamino]phenyl]carbonylamino]butanedioic acid
MOLECULAR FORMULA: C22H24N6O5
MOLECULAR WEIGHT: 452.46316
SMILES: CCC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O
Structure:
CAS RN: 61948-30-9
CAS Name: 2-chloro-4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-5,6-dimethyl-3-pyridinecarbonitrile
OPENEYE Name: 4-(2-benzyloxy-3,4-dimethoxy-phenyl)-2-chloro-5,6-dimethyl-pyridine-3-carbonitrile
IUPAC Name: 2-chloro-4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
SYSTEMATIC NAME: 2-chloranyl-4-(3,4-dimethoxy-2-phenylmethoxy-phenyl)-5,6-dimethyl-pyridine-3-carbonitrile
MOLECULAR FORMULA: C23H21ClN2O3
MOLECULAR WEIGHT: 408.87744
SMILES: CC1=C(N=C(C(=C1C2=C(C(=C(C=C2)OC)OC)OCC3=CC=CC=C3)C#N)Cl)C
Structure:
CAS RN: 86834-22-2
CAS Name: [5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methyl dihydrogen phosphate; [3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate; [3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate; [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate; [5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C20H29N7O14P2
MOLECULAR WEIGHT: 653.430282
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O.C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)O)O
Structure:
CAS RN: 28082-56-6
CAS Name: 4-methyl-3-pentenoic acid [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester
OPENEYE Name: [1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] 4-methylpent-3-enoate
IUPAC Name: [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] 4-methylpent-3-enoate
SYSTEMATIC NAME: [4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] 4-methylpent-3-enoate
MOLECULAR FORMULA: C25H33NO2
MOLECULAR WEIGHT: 379.53502
SMILES: CC(CN(C)C)C(CC1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)CC=C(C)C
Structure:
CAS RN: 4644-02-4
CAS Name: 1,4-dihydroxy-2-(1-piperidinyl)anthracene-9,10-dione
OPENEYE Name: 1,4-dihydroxy-2-(1-piperidyl)anthracene-9,10-dione
IUPAC Name: 1,4-dihydroxy-2-piperidin-1-ylanthracene-9,10-dione
SYSTEMATIC NAME: 1,4-bis(oxidanyl)-2-piperidin-1-yl-anthracene-9,10-dione
MOLECULAR FORMULA: C19H17NO4
MOLECULAR WEIGHT: 323.34258
SMILES: C1CCN(CC1)C2=CC(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O
Structure:
CAS RN: 40312-90-1
CAS Name: 1,2-di(cyclododecyl)-2,5-diphenylpyrazine
OPENEYE Name: 1,2-di(cyclododecyl)-2,5-diphenyl-pyrazine
IUPAC Name: 1,2-di(cyclododecyl)-2,5-diphenylpyrazine
SYSTEMATIC NAME: 1,2-di(cyclododecyl)-2,5-diphenyl-pyrazine
MOLECULAR FORMULA: C40H58N2
MOLECULAR WEIGHT: 566.90192
SMILES: C1CCCCCC(CCCCC1)C2(C=NC(=CN2C3CCCCCCCCCCC3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 40312-89-8
CAS Name: 1,2-di(cyclooctyl)-2,5-diphenylpyrazine
OPENEYE Name: 1,2-di(cyclooctyl)-2,5-diphenyl-pyrazine
IUPAC Name: 1,2-di(cyclooctyl)-2,5-diphenylpyrazine
SYSTEMATIC NAME: 1,2-di(cyclooctyl)-2,5-diphenyl-pyrazine
MOLECULAR FORMULA: C32H42N2
MOLECULAR WEIGHT: 454.68928
SMILES: C1CCCC(CCC1)C2(C=NC(=CN2C3CCCCCCC3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 40312-92-3
CAS Name: 1,2-di(cycloheptyl)-2,5-diphenylpyrazine
OPENEYE Name: 1,2-di(cycloheptyl)-2,5-diphenyl-pyrazine
IUPAC Name: 1,2-di(cycloheptyl)-2,5-diphenylpyrazine
SYSTEMATIC NAME: 1,2-di(cycloheptyl)-2,5-diphenyl-pyrazine
MOLECULAR FORMULA: C30H38N2
MOLECULAR WEIGHT: 426.63612
SMILES: C1CCCC(CC1)C2(C=NC(=CN2C3CCCCCC3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
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