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

Systemtic Name: (phenylmethyl) 5-methyl-3-(3-methylbutyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 3-isopentyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-(3-methylbutyl)-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-isoamyl-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCC(C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCC(C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S/c1-13(2)9-10-22-12-21-18-16(19(22)23)14(3)17(26-18)20(24)25-11-15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3