2-methylpropyl 5-methyl-4-oxidanylidene-3-phenacyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 5-methyl-4-oxidanylidene-3-phenacyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 5-methyl-4-oxo-3-phenacyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-phenacyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-4-oxo-3-phenacylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-phenacyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-12(2)10-26-20(25)17-13(3)16-18(27-17)21-11-22(19(16)24)9-15(23)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3