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

Systemtic Name: (phenylmethyl) 3-[(4-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 3-[(4-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(4-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(4-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(4-carbethoxybenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O5S/c1-3-31-24(29)19-11-9-17(10-12-19)13-27-15-26-22-20(23(27)28)16(2)21(33-22)25(30)32-14-18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3