(4-ethanoyl-2-methyl-phenyl) 5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxylate

Systemtic Name: (4-ethanoyl-2-methyl-phenyl) 5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxylate Openeye Name: (4-acetyl-2-methyl-phenyl) 2-benzylsulfanyl-5-chloro-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(phenylmethylthio)-4-pyrimidinecarboxylic acid (4-acetyl-2-methylphenyl) ester IUPAC Name: (4-acetyl-2-methylphenyl) 2-benzylsulfanyl-5-chloropyrimidine-4-carboxylate Traditional Name: 2-(benzylthio)-5-chloro-pyrimidine-4-carboxylic acid (4-acetyl-2-methyl-phenyl) ester Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C21H17ClN2O3S/c1-13-10-16(14(2)25)8-9-18(13)27-20(26)19-17(22)11-23-21(24-19)28-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3