ethyl 6-butyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-2-carboxylate

Systemtic Name: ethyl 6-butyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-2-carboxylate Openeye Name: ethyl 6-butyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate CAS Name: 6-butyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-butyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate Traditional Name: 6-butyl-4-keto-3H-thieno[2,3-d]pyrimidine-2-carboxylic acid ethyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(S1)N=C(NC2=O)C(=O)OCC

Isomeric SMILES

CCCCC1=CC2=C(S1)N=C(NC2=O)C(=O)OCC

InChI

InChI=1S/C13H16N2O3S/c1-3-5-6-8-7-9-11(16)14-10(13(17)18-4-2)15-12(9)19-8/h7H,3-6H2,1-2H3,(H,14,15,16)