5-methyl-3-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-3-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-3-morpholino-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-3-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-morpholino-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C12H12N3O4S2- MolecularWeight: 326.37138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=S)N2)N3CCOCC3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=S)N2)N3CCOCC3)C(=O)[O-]

InChI

InChI=1S/C12H13N3O4S2/c1-6-7-9(21-8(6)11(17)18)13-12(20)15(10(7)16)14-2-4-19-5-3-14/h2-5H2,1H3,(H,13,20)(H,17,18)/p-1