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

Systemtic Name: 5-methyl-3-(1-methylpyrazol-3-yl)-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-3-(1-methylpyrazol-3-yl)-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-(1-methyl-3-pyrazolyl)-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-3-(1-methylpyrazol-3-yl)-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(1-methylpyrazol-3-yl)-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C12H9N4O3S2- MolecularWeight: 321.35486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=S)N2)C3=NN(C=C3)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=S)N2)C3=NN(C=C3)C)C(=O)[O-]

InChI

InChI=1S/C12H10N4O3S2/c1-5-7-9(21-8(5)11(18)19)13-12(20)16(10(7)17)6-3-4-15(2)14-6/h3-4H,1-2H3,(H,13,20)(H,18,19)/p-1