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

Systemtic Name: (phenylmethyl) 3-[(2-cyanophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 3-[(2-cyanophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(2-cyanophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2-cyanophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-cyanobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C23H17N3O3S MolecularWeight: 415.46438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3C#N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3C#N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H17N3O3S/c1-15-19-21(30-20(15)23(28)29-13-16-7-3-2-4-8-16)25-14-26(22(19)27)12-18-10-6-5-9-17(18)11-24/h2-10,14H,12-13H2,1H3