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

Systemtic Name: (phenylmethyl) 5-methyl-2-(3-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 5-methyl-2-(m-tolyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(3-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-2-(3-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(m-tolyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C(=C(S3)C(=O)OCC4=CC=CC=C4)C)C(=O)N2

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C(=C(S3)C(=O)OCC4=CC=CC=C4)C)C(=O)N2

InChI

InChI=1S/C22H18N2O3S/c1-13-7-6-10-16(11-13)19-23-20(25)17-14(2)18(28-21(17)24-19)22(26)27-12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,23,24,25)