5-chloranyl-N-(2,6-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2,6-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(2,6-dimethylphenyl)-2-(p-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(2,6-dimethylphenyl)-2-[(4-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C21H20ClN3OS MolecularWeight: 397.921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=C(C=CC=C3C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=C(C=CC=C3C)C)Cl

InChI

InChI=1S/C21H20ClN3OS/c1-13-7-9-16(10-8-13)12-27-21-23-11-17(22)19(25-21)20(26)24-18-14(2)5-4-6-15(18)3/h4-11H,12H2,1-3H3,(H,24,26)