(3-iodanylphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (3-iodanylphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (3-iodophenyl)methyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-iodophenyl)methyl ester IUPAC Name: (3-iodophenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-iodobenzyl) ester Formula: C13H13IN2O2S MolecularWeight: 388.22399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC(=CC=C2)I

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC(=CC=C2)I

InChI

InChI=1S/C13H13IN2O2S/c1-8-11(6-15-13(19)16-8)12(17)18-7-9-3-2-4-10(14)5-9/h2-5H,6-7H2,1H3,(H2,15,16,19)