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

Systemtic Name: methyl 1-(2-iodanylphenyl)-3-methyl-6-methylsulfanyl-4-oxidanylidene-2-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H13IN2O3S2 MolecularWeight: 448.29909

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13IN2O3S2/c1-16-11(18)10(13(19)20-2)12(22-3)17(14(16)21)9-7-5-4-6-8(9)15/h4-7H,1-3H3