ethyl 4-azanyl-2-[(1-ethanoyl-2,2-dimethyl-quinolin-4-yl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(1-ethanoyl-2,2-dimethyl-quinolin-4-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(1-acetyl-2,2-dimethyl-4-quinolyl)methylsulfanyl]-4-amino-pyrimidine-5-carboxylate CAS Name: 2-[(1-acetyl-2,2-dimethyl-4-quinolinyl)methylthio]-4-amino-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-acetyl-2,2-dimethylquinolin-4-yl)methylsulfanyl]-4-aminopyrimidine-5-carboxylate Traditional Name: 2-[(1-acetyl-2,2-dimethyl-4-quinolyl)methylthio]-4-amino-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(N(C3=CC=CC=C32)C(=O)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(N(C3=CC=CC=C32)C(=O)C)(C)C

InChI

InChI=1S/C21H24N4O3S/c1-5-28-19(27)16-11-23-20(24-18(16)22)29-12-14-10-21(3,4)25(13(2)26)17-9-7-6-8-15(14)17/h6-11H,5,12H2,1-4H3,(H2,22,23,24)