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

Systemtic Name: 2-methylpropyl 5-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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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)OCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-12(2)10-25-20(24)17-14(4)16-18(26-17)21-11-22(19(16)23)9-15-7-5-13(3)6-8-15/h5-8,11-12H,9-10H2,1-4H3