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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)C(=O)OC)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)C(=O)OC)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O5S/c1-16-20-22(33-21(16)25(30)32-13-12-17-6-4-3-5-7-17)26-15-27(23(20)28)14-18-8-10-19(11-9-18)24(29)31-2/h3-11,15H,12-14H2,1-2H3