methyl 6-(2-chlorophenyl)-3-methyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(2-chlorophenyl)-3-methyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(2-chlorophenyl)-3-methyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-chlorophenyl)-3-methyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-chlorophenyl)-3-methyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-chlorophenyl)-3-methyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C16H19ClN2O2S MolecularWeight: 338.85226

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1C)C2=CC=CC=C2Cl)C(=O)OC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1C)C2=CC=CC=C2Cl)C(=O)OC

InChI

InChI=1S/C16H19ClN2O2S/c1-4-7-12-13(15(20)21-3)14(18-16(22)19(12)2)10-8-5-6-9-11(10)17/h5-6,8-9,14H,4,7H2,1-3H3,(H,18,22)