CAS RN: 10130-23-1
CAS Name: 2-methyl-3-phenylquinoxaline
OPENEYE Name: 2-methyl-3-phenyl-quinoxaline
IUPAC Name: 2-methyl-3-phenylquinoxaline
SYSTEMATIC NAME: 2-methyl-3-phenyl-quinoxaline
MOLECULAR FORMULA: C15H12N2
MOLECULAR WEIGHT: 220.26918
SMILES: CC1=NC2=CC=CC=C2N=C1C3=CC=CC=C3
Structure:
CAS RN: 1504-78-5
CAS Name: 3-phenyl-1H-quinoxalin-2-one
OPENEYE Name: 3-phenyl-1H-quinoxalin-2-one
IUPAC Name: 3-phenyl-1H-quinoxalin-2-one
SYSTEMATIC NAME: 3-phenyl-1H-quinoxalin-2-one
MOLECULAR FORMULA: C14H10N2O
MOLECULAR WEIGHT: 222.242
SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC2=O
Structure:
CAS RN: 3349-73-3
CAS Name: N-(cycloheptylideneamino)-2,4-dinitroaniline
OPENEYE Name: N-(cycloheptylideneamino)-2,4-dinitro-aniline
IUPAC Name: N-(cycloheptylideneamino)-2,4-dinitroaniline
SYSTEMATIC NAME: N-(cycloheptylideneamino)-2,4-dinitro-aniline
MOLECULAR FORMULA: C13H16N4O4
MOLECULAR WEIGHT: 292.29054
SMILES: C1CCCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC1
Structure:
CAS RN: 1527-97-5
CAS Name: N-(hexylideneamino)-2,4-dinitroaniline
OPENEYE Name: N-(hexylideneamino)-2,4-dinitro-aniline
IUPAC Name: N-(hexylideneamino)-2,4-dinitroaniline
SYSTEMATIC NAME: N-(hexylideneamino)-2,4-dinitro-aniline
MOLECULAR FORMULA: C12H16N4O4
MOLECULAR WEIGHT: 280.27984
SMILES: CCCCCC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 88186-35-0
CAS Name: 2-(3-nitrophenyl)-4,5-dihydrooxazole
OPENEYE Name: 2-(3-nitrophenyl)-4,5-dihydrooxazole
IUPAC Name: 2-(3-nitrophenyl)-4,5-dihydro-1,3-oxazole
SYSTEMATIC NAME: 2-(3-nitrophenyl)-4,5-dihydro-1,3-oxazole
MOLECULAR FORMULA: C9H8N2O3
MOLECULAR WEIGHT: 192.17142
SMILES: C1COC(=N1)C2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 14208-17-4
CAS Name: N-(2-nitrosophenyl)hydroxylamine
OPENEYE Name: N-(2-nitrosophenyl)hydroxylamine
IUPAC Name: N-(2-nitrosophenyl)hydroxylamine
SYSTEMATIC NAME: N-(2-nitrosophenyl)hydroxylamine
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: C1=CC=C(C(=C1)NO)N=O
Structure:
CAS RN: 73475-99-7
CAS Name: 1-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-4-methylbenzene
OPENEYE Name: 1-methyl-4-[1,1,3-trimethyl-3-(p-tolyl)butyl]benzene
IUPAC Name: 1-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-4-methylbenzene
SYSTEMATIC NAME: 1-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-4-methyl-benzene
MOLECULAR FORMULA: C21H28
MOLECULAR WEIGHT: 280.44702
SMILES: CC1=CC=C(C=C1)C(C)(C)CC(C)(C)C2=CC=C(C=C2)C
Structure:
CAS RN: 24269-10-1
CAS Name: 9,9,10,10-tetramethylanthracene
OPENEYE Name: 9,9,10,10-tetramethylanthracene
IUPAC Name: 9,9,10,10-tetramethylanthracene
SYSTEMATIC NAME: 9,9,10,10-tetramethylanthracene
MOLECULAR FORMULA: C18H20
MOLECULAR WEIGHT: 236.3514
SMILES: CC1(C2=CC=CC=C2C(C3=CC=CC=C31)(C)C)C
Structure:
CAS RN: 36201-04-4
CAS Name: 1,3-bis(4-methylphenyl)-2-buten-1-one
OPENEYE Name: 1,3-bis(p-tolyl)but-2-en-1-one
IUPAC Name: 1,3-bis(4-methylphenyl)but-2-en-1-one
SYSTEMATIC NAME: 1,3-bis(4-methylphenyl)but-2-en-1-one
MOLECULAR FORMULA: C18H18O
MOLECULAR WEIGHT: 250.33492
SMILES: CC1=CC=C(C=C1)C(=CC(=O)C2=CC=C(C=C2)C)C
Structure:
CAS RN: 93876-99-4
CAS Name: 1,3-bis(3-methylphenyl)-2-buten-1-one
OPENEYE Name: 1,3-bis(m-tolyl)but-2-en-1-one
IUPAC Name: 1,3-bis(3-methylphenyl)but-2-en-1-one
SYSTEMATIC NAME: 1,3-bis(3-methylphenyl)but-2-en-1-one
MOLECULAR FORMULA: C18H18O
MOLECULAR WEIGHT: 250.33492
SMILES: CC1=CC=CC(=C1)C(=CC(=O)C2=CC(=CC=C2)C)C
Structure:
CAS RN: 84118-71-8
CAS Name: 1,3-bis(2-methylphenyl)-2-buten-1-one
OPENEYE Name: 1,3-bis(o-tolyl)but-2-en-1-one
IUPAC Name: 1,3-bis(2-methylphenyl)but-2-en-1-one
SYSTEMATIC NAME: 1,3-bis(2-methylphenyl)but-2-en-1-one
MOLECULAR FORMULA: C18H18O
MOLECULAR WEIGHT: 250.33492
SMILES: CC1=CC=CC=C1C(=CC(=O)C2=CC=CC=C2C)C
Structure:
CAS RN: 3837-38-5
CAS Name: 2,6-dimethylanthracene-9,10-dione
OPENEYE Name: 2,6-dimethylanthracene-9,10-dione
IUPAC Name: 2,6-dimethylanthracene-9,10-dione
SYSTEMATIC NAME: 2,6-dimethylanthracene-9,10-dione
MOLECULAR FORMULA: C16H12O2
MOLECULAR WEIGHT: 236.26528
SMILES: CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)C
Structure:
CAS RN: 66516-52-7
CAS Name: 3,5-dinitrobenzoic acid 2-methylpentyl ester
OPENEYE Name: 2-methylpentyl 3,5-dinitrobenzoate
IUPAC Name: 2-methylpentyl 3,5-dinitrobenzoate
SYSTEMATIC NAME: 2-methylpentyl 3,5-dinitrobenzoate
MOLECULAR FORMULA: C13H16N2O6
MOLECULAR WEIGHT: 296.27594
SMILES: CCCC(C)COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 6555-59-5
CAS Name: 1-(1-methyl-1-cyclohex-3-enyl)ethanone
OPENEYE Name: 1-(1-methylcyclohex-3-en-1-yl)ethanone
IUPAC Name: 1-(1-methylcyclohex-3-en-1-yl)ethanone
SYSTEMATIC NAME: 1-(1-methylcyclohex-3-en-1-yl)ethanone
MOLECULAR FORMULA: C9H14O
MOLECULAR WEIGHT: 138.20686
SMILES: CC(=O)C1(CCC=CC1)C
Structure:
CAS RN: 7496-42-6
CAS Name: 6H-indeno[1,2-b]indolizine
OPENEYE Name: 6H-indeno[1,2-b]indolizine
IUPAC Name: 6H-indeno[1,2-b]indolizine
SYSTEMATIC NAME: 6H-indeno[1,2-b]indolizine
MOLECULAR FORMULA: C15H11N
MOLECULAR WEIGHT: 205.25454
SMILES: C1C2=CC=CC=C2C3=C1N4C=CC=CC4=C3
Structure:
CAS RN: 7496-41-5
CAS Name: 4-(2-indolizinyl)phenol
OPENEYE Name: 4-indolizin-2-ylphenol
IUPAC Name: 4-indolizin-2-ylphenol
SYSTEMATIC NAME: 4-indolizin-2-ylphenol
MOLECULAR FORMULA: C14H11NO
MOLECULAR WEIGHT: 209.24324
SMILES: C1=CC2=CC(=CN2C=C1)C3=CC=C(C=C3)O
Structure:
CAS RN: 7496-38-0
CAS Name: N-(6-methyl-4-oxo-1H-pyrimido[5,4-d]pyrimidin-2-yl)acetamide
OPENEYE Name: N-(6-methyl-4-oxo-1H-pyrimido[5,4-d]pyrimidin-2-yl)acetamide
IUPAC Name: N-(6-methyl-4-oxo-1H-pyrimido[5,4-d]pyrimidin-2-yl)acetamide
SYSTEMATIC NAME: N-(6-methyl-4-oxidanylidene-1H-pyrimido[5,4-d]pyrimidin-2-yl)ethanamide
MOLECULAR FORMULA: C9H9N5O2
MOLECULAR WEIGHT: 219.20006
SMILES: CC1=NC=C2C(=N1)C(=O)N=C(N2)NC(=O)C
Structure:
CAS RN: 7496-37-9
CAS Name: 6-methylpyrimido[5,4-d]pyrimidine-2,4-diamine
OPENEYE Name: 6-methylpyrimido[5,4-d]pyrimidine-2,4-diamine
IUPAC Name: 6-methylpyrimido[5,4-d]pyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-methylpyrimido[5,4-d]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C7H8N6
MOLECULAR WEIGHT: 176.17862
SMILES: CC1=NC=C2C(=N1)C(=NC(=N2)N)N
Structure:
CAS RN: 7496-36-8
CAS Name: 2-amino-6-methyl-1,5-dihydropyrimido[5,4-d]pyrimidine-4,8-dione
OPENEYE Name: 2-amino-6-methyl-1,5-dihydropyrimido[5,4-d]pyrimidine-4,8-dione
IUPAC Name: 2-amino-6-methyl-1,5-dihydropyrimido[5,4-d]pyrimidine-4,8-dione
SYSTEMATIC NAME: 2-azanyl-6-methyl-1,5-dihydropyrimido[5,4-d]pyrimidine-4,8-dione
MOLECULAR FORMULA: C7H7N5O2
MOLECULAR WEIGHT: 193.16278
SMILES: CC1=NC(=O)C2=C(N1)C(=O)N=C(N2)N
Structure:
CAS RN: 7496-35-7
CAS Name: acetic acid; 2-amino-6-methyl-1H-pyrimido[5,4-d]pyrimidin-4-one
OPENEYE Name: acetic acid; 2-amino-6-methyl-1H-pyrimido[5,4-d]pyrimidin-4-one
IUPAC Name: acetic acid; 2-amino-6-methyl-1H-pyrimido[5,4-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-6-methyl-1H-pyrimido[5,4-d]pyrimidin-4-one; ethanoic acid
MOLECULAR FORMULA: C9H11N5O3
MOLECULAR WEIGHT: 237.21534
SMILES: CC1=NC=C2C(=N1)C(=O)N=C(N2)N.CC(=O)O
Structure:
CAS RN: 7496-33-5
CAS Name: 2-methyl-1,5-dihydropyrimido[5,4-d]pyrimidine-4,6,8-trione
OPENEYE Name: 2-methyl-1,5-dihydropyrimido[5,4-d]pyrimidine-4,6,8-trione
IUPAC Name: 2-methyl-1,5-dihydropyrimido[5,4-d]pyrimidine-4,6,8-trione
SYSTEMATIC NAME: 2-methyl-1,5-dihydropyrimido[5,4-d]pyrimidine-4,6,8-trione
MOLECULAR FORMULA: C7H6N4O3
MOLECULAR WEIGHT: 194.14754
SMILES: CC1=NC(=O)C2=C(N1)C(=O)NC(=O)N2
Structure:
CAS RN: 7496-32-4
CAS Name: 2-methyl-5H-pyrimido[5,4-d]pyrimidine-6,8-dione
OPENEYE Name: 2-methyl-5H-pyrimido[5,4-d]pyrimidine-6,8-dione
IUPAC Name: 2-methyl-5H-pyrimido[5,4-d]pyrimidine-6,8-dione
SYSTEMATIC NAME: 2-methyl-5H-pyrimido[5,4-d]pyrimidine-6,8-dione
MOLECULAR FORMULA: C7H6N4O2
MOLECULAR WEIGHT: 178.14814
SMILES: CC1=NC=C2C(=N1)C(=O)NC(=O)N2
Structure:
CAS RN: 7497-48-5
CAS Name: 2-[5-(cyanomethyl)-1,4-dioxan-2-yl]acetonitrile
OPENEYE Name: 2-[5-(cyanomethyl)-1,4-dioxan-2-yl]acetonitrile
IUPAC Name: 2-[5-(cyanomethyl)-1,4-dioxan-2-yl]acetonitrile
SYSTEMATIC NAME: 2-[5-(cyanomethyl)-1,4-dioxan-2-yl]ethanenitrile
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: C1C(OCC(O1)CC#N)CC#N
Structure:
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