ethyl 3-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-oxidanylidene-thieno[3,4-d]pyrimidine-7-carboxylate

Systemtic Name: ethyl 3-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-oxidanylidene-thieno[3,4-d]pyrimidine-7-carboxylate Openeye Name: ethyl 3-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-thieno[3,4-d]pyrimidine-7-carboxylate CAS Name: 3-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-7-thieno[3,4-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate Traditional Name: 3-(4-chlorobenzyl)-4-keto-2,5-dimethyl-thieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C(=N2)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C(=N2)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2O3S/c1-4-24-18(23)16-15-14(10(2)25-16)17(22)21(11(3)20-15)9-12-5-7-13(19)8-6-12/h5-8H,4,9H2,1-3H3