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

Systemtic Name: phenethyl 3-[2,4-bis(oxidanylidene)pentan-3-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-(1-acetyl-2-oxo-propyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(2,4-dioxopentan-3-yl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-(2,4-dioxopentan-3-yl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(1-acetyl-2-keto-propyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C(C(=O)C)C(=O)C)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C(C(=O)C)C(=O)C)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-12-16-19(22-11-23(20(16)26)17(13(2)24)14(3)25)29-18(12)21(27)28-10-9-15-7-5-4-6-8-15/h4-8,11,17H,9-10H2,1-3H3