2-methylpropyl 3-[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 3-[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 3-[2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[1-(4-ethylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-[1-(4-ethylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-ethylanilino)-2-keto-1-methyl-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)OCC(C)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)OCC(C)C)C

InChI

InChI=1S/C23H27N3O4S/c1-6-16-7-9-17(10-8-16)25-20(27)15(5)26-12-24-21-18(22(26)28)14(4)19(31-21)23(29)30-11-13(2)3/h7-10,12-13,15H,6,11H2,1-5H3,(H,25,27)