2-methylpropyl 3-[2-(butylamino)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 3-[2-(butylamino)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 3-[2-(butylamino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(butylamino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-[2-(butylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(butylamino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCC(C)C)C

Isomeric SMILES

CCCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCC(C)C)C

InChI

InChI=1S/C18H25N3O4S/c1-5-6-7-19-13(22)8-21-10-20-16-14(17(21)23)12(4)15(26-16)18(24)25-9-11(2)3/h10-11H,5-9H2,1-4H3,(H,19,22)