(2,4-dimethylphenyl) 5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxylate

Systemtic Name: (2,4-dimethylphenyl) 5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxylate Openeye Name: (2,4-dimethylphenyl) 2-benzylsulfanyl-5-chloro-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(phenylmethylthio)-4-pyrimidinecarboxylic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 2-benzylsulfanyl-5-chloropyrimidine-4-carboxylate Traditional Name: 2-(benzylthio)-5-chloro-pyrimidine-4-carboxylic acid (2,4-dimethylphenyl) ester Formula: C20H17ClN2O2S MolecularWeight: 384.87918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O2S/c1-13-8-9-17(14(2)10-13)25-19(24)18-16(21)11-22-20(23-18)26-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3