CAS RN: 68380-51-8
CAS Name: 4-ethoxy-1-phenylpyrazolo[3,4-d]pyrimidine
OPENEYE Name: 4-ethoxy-1-phenyl-pyrazolo[3,4-d]pyrimidine
IUPAC Name: 4-ethoxy-1-phenylpyrazolo[3,4-d]pyrimidine
SYSTEMATIC NAME: 4-ethoxy-1-phenyl-pyrazolo[3,4-d]pyrimidine
MOLECULAR FORMULA: C13H12N4O
MOLECULAR WEIGHT: 240.26058
SMILES: CCOC1=NC=NC2=C1C=NN2C3=CC=CC=C3
Structure:
CAS RN: 52388-53-1
CAS Name: N-(2,5-diethoxyphenyl)azo-N-methylmethanamine
OPENEYE Name: N-(2,5-diethoxyphenyl)azo-N-methyl-methanamine
IUPAC Name: N-[(2,5-diethoxyphenyl)diazenyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[(2,5-diethoxyphenyl)diazenyl]-N-methyl-methanamine
MOLECULAR FORMULA: C12H19N3O2
MOLECULAR WEIGHT: 237.29816
SMILES: CCOC1=CC(=C(C=C1)OCC)N=NN(C)C
Structure:
CAS RN: 52388-49-5
CAS Name: N-(2,3-dimethylphenyl)azo-N-methylmethanamine
OPENEYE Name: N-(2,3-dimethylphenyl)azo-N-methyl-methanamine
IUPAC Name: N-[(2,3-dimethylphenyl)diazenyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[(2,3-dimethylphenyl)diazenyl]-N-methyl-methanamine
MOLECULAR FORMULA: C10H15N3
MOLECULAR WEIGHT: 177.2462
SMILES: CC1=C(C(=CC=C1)N=NN(C)C)C
Structure:
CAS RN: 2268-12-4
CAS Name: 8-(trifluoromethyl)-7H-purine
OPENEYE Name: 8-(trifluoromethyl)-7H-purine
IUPAC Name: 8-(trifluoromethyl)-7H-purine
SYSTEMATIC NAME: 8-(trifluoromethyl)-7H-purine
MOLECULAR FORMULA: C6H3F3N4
MOLECULAR WEIGHT: 188.11003
SMILES: C1=C2C(=NC=N1)N=C(N2)C(F)(F)F
Structure:
CAS RN: 52010-42-1
CAS Name: N-butan-2-yl-N-phenyldiazenyl-2-butanamine
OPENEYE Name: N-phenylazo-N-sec-butyl-butan-2-amine
IUPAC Name: N-butan-2-yl-N-phenyldiazenylbutan-2-amine
SYSTEMATIC NAME: N-butan-2-yl-N-phenyldiazenyl-butan-2-amine
MOLECULAR FORMULA: C14H23N3
MOLECULAR WEIGHT: 233.35252
SMILES: CCC(C)N(C(C)CC)N=NC1=CC=CC=C1
Structure:
CAS RN: 52010-43-2
CAS Name: N-pentyl-N-phenyldiazenyl-1-pentanamine
OPENEYE Name: N-pentyl-N-phenylazo-pentan-1-amine
IUPAC Name: N-pentyl-N-phenyldiazenylpentan-1-amine
SYSTEMATIC NAME: N-pentyl-N-phenyldiazenyl-pentan-1-amine
MOLECULAR FORMULA: C16H27N3
MOLECULAR WEIGHT: 261.40568
SMILES: CCCCCN(CCCCC)N=NC1=CC=CC=C1
Structure:
CAS RN: 13120-27-9
CAS Name: 2-[[4,8-diamino-2-[bis(2-hydroxyethyl)amino]-6-pyrimido[5,4-d]pyrimidinyl]-(2-hydroxyethyl)amino]ethanol
OPENEYE Name: 2-[[4,8-diamino-2-[bis(2-hydroxyethyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
IUPAC Name: 2-[[4,8-diamino-2-[bis(2-hydroxyethyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: 2-[[4,8-bis(azanyl)-2-[bis(2-hydroxyethyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
MOLECULAR FORMULA: C14H24N8O4
MOLECULAR WEIGHT: 368.39156
SMILES: C(CO)N(CCO)C1=NC2=C(C(=N1)N)N=C(N=C2N)N(CCO)CCO
Structure:
CAS RN: 22119-05-7
CAS Name: 2-(methylthio)butanedioic acid
OPENEYE Name: 2-methylsulfanylbutanedioic acid
IUPAC Name: 2-methylsulfanylbutanedioic acid
SYSTEMATIC NAME: 2-methylsulfanylbutanedioic acid
MOLECULAR FORMULA: C5H8O4S
MOLECULAR WEIGHT: 164.17962
SMILES: CSC(CC(=O)O)C(=O)O
Structure:
CAS RN: 858513-51-6
CAS Name: N,3-dimethyl-5-nitro-4-imidazolecarboxamide
OPENEYE Name: N,3-dimethyl-5-nitro-imidazole-4-carboxamide
IUPAC Name: N,3-dimethyl-5-nitroimidazole-4-carboxamide
SYSTEMATIC NAME: N,3-dimethyl-5-nitro-imidazole-4-carboxamide
MOLECULAR FORMULA: C6H8N4O3
MOLECULAR WEIGHT: 184.15272
SMILES: CNC(=O)C1=C(N=CN1C)[N+](=O)[O-]
Structure:
CAS RN: 70183-93-6
CAS Name: 3-methyl-5-nitro-4-imidazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 3-methyl-5-nitro-imidazole-4-carboxylate
IUPAC Name: ethyl 3-methyl-5-nitroimidazole-4-carboxylate
SYSTEMATIC NAME: ethyl 3-methyl-5-nitro-imidazole-4-carboxylate
MOLECULAR FORMULA: C7H9N3O4
MOLECULAR WEIGHT: 199.16406
SMILES: CCOC(=O)C1=C(N=CN1C)[N+](=O)[O-]
Structure:
CAS RN: 70265-43-9
CAS Name: 3-(2,2-diethoxyethoxy)-1-propene
OPENEYE Name: 3-(2,2-diethoxyethoxy)prop-1-ene
IUPAC Name: 3-(2,2-diethoxyethoxy)prop-1-ene
SYSTEMATIC NAME: 3-(2,2-diethoxyethoxy)prop-1-ene
MOLECULAR FORMULA: C9H18O3
MOLECULAR WEIGHT: 174.23742
SMILES: CCOC(COCC=C)OCC
Structure:
CAS RN: 21352-21-6
CAS Name: N-(2-pyrazinyl)acetamide
OPENEYE Name: N-pyrazin-2-ylacetamide
IUPAC Name: N-pyrazin-2-ylacetamide
SYSTEMATIC NAME: N-pyrazin-2-ylethanamide
MOLECULAR FORMULA: C6H7N3O
MOLECULAR WEIGHT: 137.13928
SMILES: CC(=O)NC1=NC=CN=C1
Structure:
CAS RN: 19172-64-6
CAS Name: benzoic acid [benzoyl-(phenylmethyl)amino] ester
OPENEYE Name: [benzoyl(benzyl)amino] benzoate
IUPAC Name: [benzoyl(benzyl)amino] benzoate
SYSTEMATIC NAME: [phenylcarbonyl-(phenylmethyl)amino] benzoate
MOLECULAR FORMULA: C21H17NO3
MOLECULAR WEIGHT: 331.36458
SMILES: C1=CC=C(C=C1)CN(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
Structure:
CAS RN: 17896-84-3
CAS Name: 3-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]propanoic acid
OPENEYE Name: 3-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]propanoic acid
IUPAC Name: 3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid
SYSTEMATIC NAME: 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]propanoic acid
MOLECULAR FORMULA: C13H12N2O5
MOLECULAR WEIGHT: 276.24478
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NCCC(=O)O
Structure:
CAS RN: 53074-86-5
CAS Name: ethanebis(thioic acid) S1,S2-dipropyl ester
OPENEYE Name: S1,S2-dipropyl ethanebis(thioate)
IUPAC Name: 1-S,2-S-dipropyl ethanebis(thioate)
SYSTEMATIC NAME: S1,S2-dipropyl ethanebis(thioate)
MOLECULAR FORMULA: C8H14O2S2
MOLECULAR WEIGHT: 206.32556
SMILES: CCCSC(=O)C(=O)SCCC
Structure:
CAS RN: 1080-79-1
CAS Name: 1H-imidazole-4,5-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 1H-imidazole-4,5-dicarboxylate
IUPAC Name: diethyl 1H-imidazole-4,5-dicarboxylate
SYSTEMATIC NAME: diethyl 1H-imidazole-4,5-dicarboxylate
MOLECULAR FORMULA: C9H12N2O4
MOLECULAR WEIGHT: 212.20258
SMILES: CCOC(=O)C1=C(N=CN1)C(=O)OCC
Structure:
CAS RN: 28860-25-5
CAS Name: N-ethyl-N-methylformamide
OPENEYE Name: N-ethyl-N-methyl-formamide
IUPAC Name: N-ethyl-N-methylformamide
SYSTEMATIC NAME: N-ethyl-N-methyl-methanamide
MOLECULAR FORMULA: C4H9NO
MOLECULAR WEIGHT: 87.12036
SMILES: CCN(C)C=O
Structure:
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