(phenylmethyl) 1-(2-iodanylphenyl)-3-methyl-6-methylsulfanyl-4-oxidanylidene-2-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 1-(2-iodanylphenyl)-3-methyl-6-methylsulfanyl-4-oxidanylidene-2-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: benzyl 1-(2-iodophenyl)-3-methyl-6-methylsulfanyl-4-oxo-2-thioxo-pyrimidine-5-carboxylate CAS Name: 1-(2-iodophenyl)-3-methyl-6-(methylthio)-4-oxo-2-sulfanylidene-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-iodophenyl)-3-methyl-6-methylsulfanyl-4-oxo-2-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 1-(2-iodophenyl)-4-keto-3-methyl-6-(methylthio)-2-thioxo-pyrimidine-5-carboxylic acid benzyl ester Formula: C20H17IN2O3S2 MolecularWeight: 524.39505

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=S)C2=CC=CC=C2I)SC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=C(N(C1=S)C2=CC=CC=C2I)SC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H17IN2O3S2/c1-22-17(24)16(19(25)26-12-13-8-4-3-5-9-13)18(28-2)23(20(22)27)15-11-7-6-10-14(15)21/h3-11H,12H2,1-2H3