CAS RN: 5264-35-7
CAS Name: 5-methoxy-3,4-dihydro-2H-pyrrole
OPENEYE Name: 5-methoxy-3,4-dihydro-2H-pyrrole
IUPAC Name: 5-methoxy-3,4-dihydro-2H-pyrrole
SYSTEMATIC NAME: 5-methoxy-3,4-dihydro-2H-pyrrole
MOLECULAR FORMULA: C5H9NO
MOLECULAR WEIGHT: 99.13106
SMILES: COC1=NCCC1
Structure:
CAS RN: 93102-05-7
CAS Name: N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine
OPENEYE Name: N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine
IUPAC Name: N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine
SYSTEMATIC NAME: N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine
MOLECULAR FORMULA: C13H23NOSi
MOLECULAR WEIGHT: 237.41332
SMILES: COCN(CC1=CC=CC=C1)C[Si](C)(C)C
Structure:
CAS RN: 5256-71-3
CAS Name: 2-azido-3-phenyl-2-propenoic acid methyl ester
OPENEYE Name: methyl 2-azido-3-phenyl-prop-2-enoate
IUPAC Name: methyl 2-azido-3-phenylprop-2-enoate
SYSTEMATIC NAME: methyl 2-azido-3-phenyl-prop-2-enoate
MOLECULAR FORMULA: C10H9N3O2
MOLECULAR WEIGHT: 203.19736
SMILES: COC(=O)C(=CC1=CC=CC=C1)N=[N+]=[N-]
Structure:
CAS RN: 113105-90-1
CAS Name: 1-(9-acridinyloxy)-3-[4-(3-chlorophenyl)-1-piperazinyl]-2-propanol
OPENEYE Name: 1-acridin-9-yloxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
IUPAC Name: 1-acridin-9-yloxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-acridin-9-yloxy-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C26H26ClN3O2
MOLECULAR WEIGHT: 447.95654
SMILES: C1CN(CCN1CC(COC2=C3C=CC=CC3=NC4=CC=CC=C42)O)C5=CC(=CC=C5)Cl
Structure:
CAS RN: 5263-05-8
CAS Name: 8-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
OPENEYE Name: 8-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
IUPAC Name: 8-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
SYSTEMATIC NAME: 8-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
MOLECULAR FORMULA: C18H16N2O
MOLECULAR WEIGHT: 276.33244
SMILES: CC1=C2C(=C(C3=C1C=CN=C3)C)C4=C(N2)C=C(C=C4)OC
Structure:
CAS RN: 74734-08-0
CAS Name: 3-methyl-[1,3,5]thiadiazino[3,2-a]benzimidazole-2,4-dithione
OPENEYE Name: 3-methyl-[1,3,5]thiadiazino[3,2-a]benzimidazole-2,4-dithione
IUPAC Name: 3-methyl-[1,3,5]thiadiazino[3,2-a]benzimidazole-2,4-dithione
SYSTEMATIC NAME: 3-methyl-[1,3,5]thiadiazino[3,2-a]benzimidazole-2,4-dithione
MOLECULAR FORMULA: C10H7N3S3
MOLECULAR WEIGHT: 265.37768
SMILES: CN1C(=S)N2C3=CC=CC=C3N=C2SC1=S
Structure:
CAS RN: 5256-60-0
CAS Name: 1-(4-chlorophenyl)-2,3-dihydropyridazino[4,5-b]indol-4-one
OPENEYE Name: 1-(4-chlorophenyl)-2,3-dihydropyridazino[4,5-b]indol-4-one
IUPAC Name: 1-(4-chlorophenyl)-2,3-dihydropyridazino[4,5-b]indol-4-one
SYSTEMATIC NAME: 1-(4-chlorophenyl)-2,3-dihydropyridazino[4,5-b]indol-4-one
MOLECULAR FORMULA: C16H10ClN3O
MOLECULAR WEIGHT: 295.7231
SMILES: C1=CC=C2C(=C1)C3=C(NNC(=O)C3=N2)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 15959-93-0
CAS Name: 2-amino-4,4,4-trifluorobutanoic acid
OPENEYE Name: 2-amino-4,4,4-trifluoro-butanoic acid
IUPAC Name: 2-amino-4,4,4-trifluorobutanoic acid
SYSTEMATIC NAME: 2-azanyl-4,4,4-tris(fluoranyl)butanoic acid
MOLECULAR FORMULA: C4H6F3NO2
MOLECULAR WEIGHT: 157.09115
SMILES: C(C(C(=O)O)N)C(F)(F)F
Structure:
CAS RN: 5256-51-9
CAS Name: N-[2-(dimethylamino)ethyl]-2,4-dimethyl-1-oxo-3-isoquinolinecarboxamide
OPENEYE Name: N-[2-(dimethylamino)ethyl]-2,4-dimethyl-1-oxo-isoquinoline-3-carboxamide
IUPAC Name: N-[2-(dimethylamino)ethyl]-2,4-dimethyl-1-oxoisoquinoline-3-carboxamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-2,4-dimethyl-1-oxidanylidene-isoquinoline-3-carboxamide
MOLECULAR FORMULA: C16H21N3O2
MOLECULAR WEIGHT: 287.35684
SMILES: CC1=C(N(C(=O)C2=CC=CC=C12)C)C(=O)NCCN(C)C
Structure:
CAS RN: 89929-04-4
CAS Name: N-[2-(dimethylamino)ethyl]-2,4-dimethyl-1-oxo-3-isoquinolinecarboxamide
OPENEYE Name: N-[2-(dimethylamino)ethyl]-2,4-dimethyl-1-oxo-isoquinoline-3-carboxamide
IUPAC Name: N-[2-(dimethylamino)ethyl]-2,4-dimethyl-1-oxoisoquinoline-3-carboxamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-2,4-dimethyl-1-oxidanylidene-isoquinoline-3-carboxamide
MOLECULAR FORMULA: C16H21N3O2
MOLECULAR WEIGHT: 287.35684
SMILES: CC1=C(N(C(=O)C2=CC=CC=C12)C)C(=O)NCCN(C)C
Structure:
CAS RN: 17124-28-6
CAS Name: 2-(hydroxymethyl)-5-[6-[hydroxy(methyl)amino]-9-purinyl]oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-[6-[hydroxy(methyl)amino]purin-9-yl]tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-[6-[hydroxy(methyl)amino]purin-9-yl]oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[6-[methyl(oxidanyl)amino]purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C11H15N5O5
MOLECULAR WEIGHT: 297.2673
SMILES: CN(C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)O
Structure:
CAS RN: 18921-73-8
CAS Name: 2-[[[4-[(2,4-diamino-5-chloro-6-quinazolinyl)methylamino]phenyl]-oxomethyl]amino]butanedioic acid
OPENEYE Name: 2-[[4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
IUPAC Name: 2-[[4-[(2,4-diamino-5-chloroquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2,4-bis(azanyl)-5-chloranyl-quinazolin-6-yl]methylamino]phenyl]carbonylamino]butanedioic acid
MOLECULAR FORMULA: C20H19ClN6O5
MOLECULAR WEIGHT: 458.85506
SMILES: C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl
Structure:
CAS RN: 18921-68-1
CAS Name: 2-[[[4-[(2,4-diamino-6-quinazolinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[(2,4-diaminoquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[(2,4-diaminoquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2,4-bis(azanyl)quinazolin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C21H22N6O5
MOLECULAR WEIGHT: 438.43658
SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CC3=C(C=C2)N=C(N=C3N)N
Structure:
CAS RN: 13491-41-3
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-(hydroxyamino)-2-pyrimidinone
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(hydroxyamino)pyrimidin-2-one
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-(oxidanylamino)pyrimidin-2-one
MOLECULAR FORMULA: C9H13N3O6
MOLECULAR WEIGHT: 259.21602
SMILES: C1=CN(C(=O)N=C1NO)C2C(C(C(O2)CO)O)O
Structure:
CAS RN: 19461-00-8
CAS Name: 2-amino-6-[hydroxy(nitroso)amino]hexanoic acid
OPENEYE Name: 2-amino-6-[hydroxy(nitroso)amino]hexanoic acid
IUPAC Name: 2-amino-6-[hydroxy(nitroso)amino]hexanoic acid
SYSTEMATIC NAME: 2-azanyl-6-[nitroso(oxidanyl)amino]hexanoic acid
MOLECULAR FORMULA: C6H13N3O4
MOLECULAR WEIGHT: 191.18512
SMILES: C(CCN(N=O)O)CC(C(=O)O)N
Structure:
CAS RN: 13491-44-6
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-fluoro-4-(hydroxyamino)-2-pyrimidinone
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-fluoro-4-(hydroxyamino)pyrimidin-2-one
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-4-(hydroxyamino)pyrimidin-2-one
SYSTEMATIC NAME: 5-fluoranyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-(oxidanylamino)pyrimidin-2-one
MOLECULAR FORMULA: C9H12FN3O6
MOLECULAR WEIGHT: 277.206483
SMILES: C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)NO)F
Structure:
CAS RN: 36990-78-0
CAS Name: 5-(1-benzimidazolyl)-1-phenyl-1-penten-3-one
OPENEYE Name: 5-(benzimidazol-1-yl)-1-phenyl-pent-1-en-3-one
IUPAC Name: 5-(benzimidazol-1-yl)-1-phenylpent-1-en-3-one
SYSTEMATIC NAME: 5-(benzimidazol-1-yl)-1-phenyl-pent-1-en-3-one
MOLECULAR FORMULA: C18H16N2O
MOLECULAR WEIGHT: 276.33244
SMILES: C1=CC=C(C=C1)C=CC(=O)CCN2C=NC3=CC=CC=C32
Structure:
CAS RN: 36990-79-1
CAS Name: 3-(2-methyl-1-benzimidazolyl)-1-phenyl-1-propanone
OPENEYE Name: 3-(2-methylbenzimidazol-1-yl)-1-phenyl-propan-1-one
IUPAC Name: 3-(2-methylbenzimidazol-1-yl)-1-phenylpropan-1-one
SYSTEMATIC NAME: 3-(2-methylbenzimidazol-1-yl)-1-phenyl-propan-1-one
MOLECULAR FORMULA: C17H16N2O
MOLECULAR WEIGHT: 264.32174
SMILES: CC1=NC2=CC=CC=C2N1CCC(=O)C3=CC=CC=C3
Structure:
CAS RN: 36990-83-7
CAS Name: 3-[2-[hydroxy(phenyl)methyl]-1-benzimidazolyl]-1-phenyl-1-propanone
OPENEYE Name: 3-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-phenyl-propan-1-one
IUPAC Name: 3-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-phenylpropan-1-one
SYSTEMATIC NAME: 3-[2-[oxidanyl(phenyl)methyl]benzimidazol-1-yl]-1-phenyl-propan-1-one
MOLECULAR FORMULA: C23H20N2O2
MOLECULAR WEIGHT: 356.4171
SMILES: C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CC=C4)O
Structure:
CAS RN: 3885-72-1
CAS Name: 3-(1-benzimidazolyl)-1-phenyl-1-propanone
OPENEYE Name: 3-(benzimidazol-1-yl)-1-phenyl-propan-1-one
IUPAC Name: 3-(benzimidazol-1-yl)-1-phenylpropan-1-one
SYSTEMATIC NAME: 3-(benzimidazol-1-yl)-1-phenyl-propan-1-one
MOLECULAR FORMULA: C16H14N2O
MOLECULAR WEIGHT: 250.29516
SMILES: C1=CC=C(C=C1)C(=O)CCN2C=NC3=CC=CC=C32
Structure:
CAS RN: 19399-25-8
CAS Name: 2-(hydroxymethyl)-5-[6-(methoxyamino)-9-purinyl]oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-[6-(methoxyamino)purin-9-yl]tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-[6-(methoxyamino)purin-9-yl]oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[6-(methoxyamino)purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C11H15N5O5
MOLECULAR WEIGHT: 297.2673
SMILES: CONC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 17124-26-4
CAS Name: N-(7H-purin-8-yl)hydroxylamine
OPENEYE Name: N-(7H-purin-8-yl)hydroxylamine
IUPAC Name: N-(7H-purin-8-yl)hydroxylamine
SYSTEMATIC NAME: N-(7H-purin-8-yl)hydroxylamine
MOLECULAR FORMULA: C5H5N5O
MOLECULAR WEIGHT: 151.1261
SMILES: C1=C2C(=NC=N1)N=C(N2)NO
Structure:
CAS RN: 89811-28-9
CAS Name: 3-(5-nitro-2-furanyl)-N-phenyl-2-propenamide
OPENEYE Name: 3-(5-nitro-2-furyl)-N-phenyl-prop-2-enamide
IUPAC Name: 3-(5-nitrofuran-2-yl)-N-phenylprop-2-enamide
SYSTEMATIC NAME: 3-(5-nitrofuran-2-yl)-N-phenyl-prop-2-enamide
MOLECULAR FORMULA: C13H10N2O4
MOLECULAR WEIGHT: 258.2295
SMILES: C1=CC=C(C=C1)NC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 93536-17-5
CAS Name: acetic acid [5-acetyloxy-3-(acetyloxymethyl)-2-chloro-6-methyl-4-pyridinyl]methyl ester
OPENEYE Name: [5-acetoxy-3-(acetoxymethyl)-2-chloro-6-methyl-4-pyridyl]methyl acetate
IUPAC Name: [5-acetyloxy-3-(acetyloxymethyl)-2-chloro-6-methylpyridin-4-yl]methyl acetate
SYSTEMATIC NAME: [5-acetyloxy-3-(acetyloxymethyl)-2-chloranyl-6-methyl-pyridin-4-yl]methyl ethanoate
MOLECULAR FORMULA: C14H16ClNO6
MOLECULAR WEIGHT: 329.73294
SMILES: CC1=C(C(=C(C(=N1)Cl)COC(=O)C)COC(=O)C)OC(=O)C
Structure:
CAS RN: 5122-81-6
CAS Name: 2-(1-adamantyl)-2-oxoacetaldehyde
OPENEYE Name: 2-(1-adamantyl)-2-oxo-acetaldehyde
IUPAC Name: 2-(1-adamantyl)-2-oxoacetaldehyde
SYSTEMATIC NAME: 2-(1-adamantyl)-2-oxidanylidene-ethanal
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)C=O
Structure:
CAS RN: 6082-75-3
CAS Name: 6-(dichloromethyl)-2-methyl-1H-pyrimidin-4-one
OPENEYE Name: 6-(dichloromethyl)-2-methyl-1H-pyrimidin-4-one
IUPAC Name: 6-(dichloromethyl)-2-methyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-[bis(chloranyl)methyl]-2-methyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C6H6Cl2N2O
MOLECULAR WEIGHT: 193.03064
SMILES: CC1=NC(=O)C=C(N1)C(Cl)Cl
Structure:
CAS RN: 1758-94-7
CAS Name: 5-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione
IUPAC Name: 5-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H8N4O4
MOLECULAR WEIGHT: 236.18422
SMILES: C1=C(C(=O)NC(=O)N1)CC2=CNC(=O)NC2=O
Structure:
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