Thursday, June 28, 2012

http://ChemLookup.com Compounds




CAS RN: 67934-78-5
CAS Name: 5,6-dihydroxy-1,3-dimethylpyrimidine-2,4-dione
OPENEYE Name: 5,6-dihydroxy-1,3-dimethyl-pyrimidine-2,4-dione
IUPAC Name: 5,6-dihydroxy-1,3-dimethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1,3-dimethyl-5,6-bis(oxidanyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C6H8N2O4
MOLECULAR WEIGHT: 172.13872
SMILES: CN1C(=C(C(=O)N(C1=O)C)O)O
Structure:

CAS RN: 14247-05-3
CAS Name: N-[5-cyano-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]methanimidic acid ethyl ester
OPENEYE Name: ethyl N-(1-benzyl-5-cyano-3,6-dihydro-2H-pyridin-4-yl)methanimidate
IUPAC Name: ethyl N-(1-benzyl-5-cyano-3,6-dihydro-2H-pyridin-4-yl)methanimidate
SYSTEMATIC NAME: ethyl N-[5-cyano-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]methanimidate
MOLECULAR FORMULA: C16H19N3O
MOLECULAR WEIGHT: 269.34156
SMILES: CCOC=NC1=C(CN(CC1)CC2=CC=CC=C2)C#N
Structure:

CAS RN: 58663-94-8
CAS Name: 2,5-dimethyl-4-nitroso-3-pyrazolamine
OPENEYE Name: 2,5-dimethyl-4-nitroso-pyrazol-3-amine
IUPAC Name: 2,5-dimethyl-4-nitrosopyrazol-3-amine
SYSTEMATIC NAME: 2,5-dimethyl-4-nitroso-pyrazol-3-amine
MOLECULAR FORMULA: C5H8N4O
MOLECULAR WEIGHT: 140.14322
SMILES: CC1=NN(C(=C1N=O)N)C
Structure:

CAS RN: 25680-33-5
CAS Name: N-(4-cyano-2-phenyl-5-oxazolyl)methanimidic acid ethyl ester
OPENEYE Name: ethyl N-(4-cyano-2-phenyl-oxazol-5-yl)methanimidate
IUPAC Name: ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate
SYSTEMATIC NAME: ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate
MOLECULAR FORMULA: C13H11N3O2
MOLECULAR WEIGHT: 241.24534
SMILES: CCOC=NC1=C(N=C(O1)C2=CC=CC=C2)C#N
Structure:

CAS RN: 15042-01-0
CAS Name: 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dihydroxy-3-furanone
OPENEYE Name: 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dihydroxy-furan-3-one
IUPAC Name: 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dihydroxyfuran-3-one
SYSTEMATIC NAME: 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-bis(oxidanyl)furan-3-one
MOLECULAR FORMULA: C9H12O6
MOLECULAR WEIGHT: 216.18798
SMILES: CC1(OCC(O1)C2C(=O)C(=C(O2)O)O)C
Structure:

CAS RN: 13131-89-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H11N3S
MOLECULAR WEIGHT: 253.32224
SMILES: C1CC2=C(C3=CC=CC=C31)SC4=NC=NC(=C24)N
Structure:

CAS RN: 16201-77-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H16N2
MOLECULAR WEIGHT: 224.30094
SMILES: C1CC2NC3=C(CN2C1)C4=CC=CC=C4C=C3
Structure:

CAS RN: 16368-29-9
CAS Name: 2-nitro-12H-benzimidazolo[1,2-c]quinazolin-6-one
OPENEYE Name: 2-nitro-12H-benzimidazolo[1,2-c]quinazolin-6-one
IUPAC Name: 2-nitro-12H-benzimidazolo[1,2-c]quinazolin-6-one
SYSTEMATIC NAME: 2-nitro-12H-benzimidazolo[1,2-c]quinazolin-6-one
MOLECULAR FORMULA: C14H8N4O3
MOLECULAR WEIGHT: 280.23832
SMILES: C1=CC=C2C(=C1)NC3=C4C=C(C=CC4=NC(=O)N23)[N+](=O)[O-]
Structure:

CAS RN: 16400-98-9
CAS Name: 2-chloro-12H-benzimidazolo[1,2-c]quinazolin-6-one
OPENEYE Name: 2-chloro-12H-benzimidazolo[1,2-c]quinazolin-6-one
IUPAC Name: 2-chloro-12H-benzimidazolo[1,2-c]quinazolin-6-one
SYSTEMATIC NAME: 2-chloranyl-12H-benzimidazolo[1,2-c]quinazolin-6-one
MOLECULAR FORMULA: C14H8ClN3O
MOLECULAR WEIGHT: 269.68582
SMILES: C1=CC=C2C(=C1)NC3=C4C=C(C=CC4=NC(=O)N23)Cl
Structure:

CAS RN: 16201-74-4
CAS Name: 3-(1-oxo-4H-benzo[f]quinazolin-3-yl)propanoic acid ethyl ester
OPENEYE Name: ethyl 3-(1-oxo-4H-benzo[f]quinazolin-3-yl)propanoate
IUPAC Name: ethyl 3-(1-oxo-4H-benzo[f]quinazolin-3-yl)propanoate
SYSTEMATIC NAME: ethyl 3-(1-oxidanylidene-4H-benzo[f]quinazolin-3-yl)propanoate
MOLECULAR FORMULA: C17H16N2O3
MOLECULAR WEIGHT: 296.32054
SMILES: CCOC(=O)CCC1=NC(=O)C2=C(N1)C=CC3=CC=CC=C32
Structure:

CAS RN: 16198-82-6
CAS Name: 8-methoxy-3-methyl-4H-benzo[f]quinazolin-1-one
OPENEYE Name: 8-methoxy-3-methyl-4H-benzo[f]quinazolin-1-one
IUPAC Name: 8-methoxy-3-methyl-4H-benzo[f]quinazolin-1-one
SYSTEMATIC NAME: 8-methoxy-3-methyl-4H-benzo[f]quinazolin-1-one
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: CC1=NC(=O)C2=C(N1)C=CC3=C2C=CC(=C3)OC
Structure:

CAS RN: 86443-12-1
CAS Name: 4-chloro-1,7-phenanthroline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-chloro-1,7-phenanthroline-3-carboxylate
IUPAC Name: ethyl 4-chloro-1,7-phenanthroline-3-carboxylate
SYSTEMATIC NAME: ethyl 4-chloranyl-1,7-phenanthroline-3-carboxylate
MOLECULAR FORMULA: C15H11ClN2O2
MOLECULAR WEIGHT: 286.71304
SMILES: CCOC(=O)C1=CN=C2C3=C(C=CC2=C1Cl)N=CC=C3
Structure:

CAS RN: 796-39-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H13N5O4
MOLECULAR WEIGHT: 303.27342
SMILES: CN1C2=C(C=C3C(=N2)N(C(=O)N(C3=O)C)C)C(=O)N(C1=O)C
Structure:

CAS RN: 32317-29-6
CAS Name: 6-(2-methylphenyl)-5-oxidophenanthridin-5-ium
OPENEYE Name: 6-(o-tolyl)-5-oxido-phenanthridin-5-ium
IUPAC Name: 6-(2-methylphenyl)-5-oxidophenanthridin-5-ium
SYSTEMATIC NAME: 6-(2-methylphenyl)-5-oxidanidyl-phenanthridin-5-ium
MOLECULAR FORMULA: C20H15NO
MOLECULAR WEIGHT: 285.3392
SMILES: CC1=CC=CC=C1C2=[N+](C3=CC=CC=C3C4=CC=CC=C42)[O-]
Structure:

CAS RN: 13355-65-2
CAS Name: 5-phenyl-6-phenanthridinone
OPENEYE Name: 5-phenylphenanthridin-6-one
IUPAC Name: 5-phenylphenanthridin-6-one
SYSTEMATIC NAME: 5-phenylphenanthridin-6-one
MOLECULAR FORMULA: C19H13NO
MOLECULAR WEIGHT: 271.31262
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C4C2=O
Structure:

CAS RN: 3955-65-5
CAS Name: 6-methylphenanthridine
OPENEYE Name: 6-methylphenanthridine
IUPAC Name: 6-methylphenanthridine
SYSTEMATIC NAME: 6-methylphenanthridine
MOLECULAR FORMULA: C14H11N
MOLECULAR WEIGHT: 193.24384
SMILES: CC1=NC2=CC=CC=C2C3=CC=CC=C13
Structure:

CAS RN: 19148-20-0
CAS Name: 4,7-diamino-2-phenyl-6-pteridinecarboxylic acid methyl ester
OPENEYE Name: methyl 4,7-diamino-2-phenyl-pteridine-6-carboxylate
IUPAC Name: methyl 4,7-diamino-2-phenylpteridine-6-carboxylate
SYSTEMATIC NAME: methyl 4,7-bis(azanyl)-2-phenyl-pteridine-6-carboxylate
MOLECULAR FORMULA: C14H12N6O2
MOLECULAR WEIGHT: 296.28408
SMILES: COC(=O)C1=NC2=C(N=C1N)N=C(N=C2N)C3=CC=CC=C3
Structure:

CAS RN: 1026-10-4
CAS Name: 7-methyl-2-phenyl-4-pteridinamine
OPENEYE Name: 7-methyl-2-phenyl-pteridin-4-amine
IUPAC Name: 7-methyl-2-phenylpteridin-4-amine
SYSTEMATIC NAME: 7-methyl-2-phenyl-pteridin-4-amine
MOLECULAR FORMULA: C13H11N5
MOLECULAR WEIGHT: 237.25994
SMILES: CC1=CN=C2C(=NC(=NC2=N1)C3=CC=CC=C3)N
Structure:

CAS RN: 91955-01-0
CAS Name: 2,4-dimethyl-5H-pyrrolo[1,2-a]quinoxalin-1-one
OPENEYE Name: 2,4-dimethyl-5H-pyrrolo[1,2-a]quinoxalin-1-one
IUPAC Name: 2,4-dimethyl-5H-pyrrolo[1,2-a]quinoxalin-1-one
SYSTEMATIC NAME: 2,4-dimethyl-5H-pyrrolo[1,2-a]quinoxalin-1-one
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: CC1=CC2=C(NC3=CC=CC=C3N2C1=O)C
Structure:

CAS RN: 1501-24-2
CAS Name: 4-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[1,2-a]quinoxalin-1-one
OPENEYE Name: 4-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[1,2-a]quinoxalin-1-one
IUPAC Name: 4-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[1,2-a]quinoxalin-1-one
SYSTEMATIC NAME: 4-methyl-3,3a,4,5-tetrahydro-2H-pyrrolo[1,2-a]quinoxalin-1-one
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: CC1C2CCC(=O)N2C3=CC=CC=C3N1
Structure:

CAS RN: 62908-80-9
CAS Name: 2-(4-amino-1-methyl-3-pyrazolo[3,4-d]pyrimidinyl)acetonitrile
OPENEYE Name: 2-(4-amino-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile
IUPAC Name: 2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(4-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl)ethanenitrile
MOLECULAR FORMULA: C8H8N6
MOLECULAR WEIGHT: 188.18932
SMILES: CN1C2=C(C(=N1)CC#N)C(=NC=N2)N
Structure:

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