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

Systemtic Name: (phenylmethyl) 5-methyl-3-[(3-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 5-methyl-3-(m-tolylmethyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[(3-methylphenyl)methyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-3-[(3-methylphenyl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(3-methylbenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C23H20N2O3S/c1-15-7-6-10-18(11-15)12-25-14-24-21-19(22(25)26)16(2)20(29-21)23(27)28-13-17-8-4-3-5-9-17/h3-11,14H,12-13H2,1-2H3