5-methyl-4-oxidanylidene-3-(pyridin-3-ylcarbonylamino)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-4-oxidanylidene-3-(pyridin-3-ylcarbonylamino)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-oxo-3-(pyridine-3-carbonylamino)-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[[oxo(3-pyridinyl)methyl]amino]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-4-oxo-3-(pyridine-3-carbonylamino)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-nicotinamido-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C14H9N4O4S2- MolecularWeight: 361.37566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)C3=CN=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)C3=CN=CC=C3)C(=O)[O-]

InChI

InChI=1S/C14H10N4O4S2/c1-6-8-11(24-9(6)13(21)22)16-14(23)18(12(8)20)17-10(19)7-3-2-4-15-5-7/h2-5H,1H3,(H,16,23)(H,17,19)(H,21,22)/p-1