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

Systemtic Name: phenethyl 3-(3-ethoxy-3-oxidanylidene-propyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-(3-ethoxy-3-oxo-propyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(3-ethoxy-3-oxopropyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(3-ethoxy-3-keto-propyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCCC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O5S/c1-3-27-16(24)9-11-23-13-22-19-17(20(23)25)14(2)18(29-19)21(26)28-12-10-15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3