methyl 5-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-oxo-3-(p-tolylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-[(4-methylphenyl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(4-methylbenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OC)C

InChI

InChI=1S/C17H16N2O3S/c1-10-4-6-12(7-5-10)8-19-9-18-15-13(16(19)20)11(2)14(23-15)17(21)22-3/h4-7,9H,8H2,1-3H3