2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-5-pentyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-5-pentyl-1H-pyrimidin-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-5-pentyl-1H-pyrimidin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-6-methyl-5-pentyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-5-pentyl-1H-pyrimidin-4-one Traditional Name: 5-amyl-2-[(2-chlorobenzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C17H21ClN2OS MolecularWeight: 336.87944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=NC1=O)SCC2=CC=CC=C2Cl)C

Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)SCC2=CC=CC=C2Cl)C

InChI

InChI=1S/C17H21ClN2OS/c1-3-4-5-9-14-12(2)19-17(20-16(14)21)22-11-13-8-6-7-10-15(13)18/h6-8,10H,3-5,9,11H2,1-2H3,(H,19,20,21)