5-chloranyl-N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(p-tolylmethyl)-2-(p-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(4-methylbenzyl)-2-[(4-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3OS/c1-14-3-7-16(8-4-14)11-23-20(26)19-18(22)12-24-21(25-19)27-13-17-9-5-15(2)6-10-17/h3-10,12H,11,13H2,1-2H3,(H,23,26)