N-[(2-chlorophenyl)methyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-(2-chlorobenzyl)-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C16H18ClN3OS MolecularWeight: 335.85162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2Cl)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2Cl)SC

InChI

InChI=1S/C16H18ClN3OS/c1-3-6-14-12(10-19-16(20-14)22-2)15(21)18-9-11-7-4-5-8-13(11)17/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,18,21)