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

Systemtic Name: (phenylmethyl) 5-methyl-4-oxidanylidene-3-[(4-propoxycarbonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 5-methyl-4-oxo-3-[(4-propoxycarbonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[[4-[oxo(propoxy)methyl]phenyl]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-4-oxo-3-[(4-propoxycarbonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(4-propoxycarbonylbenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O5S/c1-3-13-32-25(30)20-11-9-18(10-12-20)14-28-16-27-23-21(24(28)29)17(2)22(34-23)26(31)33-15-19-7-5-4-6-8-19/h4-12,16H,3,13-15H2,1-2H3