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

Systemtic Name: (phenylmethyl) 5-methyl-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 5-methyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C15H12N2O3S2 MolecularWeight: 332.39738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=S)N2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=S)N2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C15H12N2O3S2/c1-8-10-12(18)16-15(21)17-13(10)22-11(8)14(19)20-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,16,17,18,21)