5-butyl-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-butyl-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-butyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-butyl-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-butyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-butyl-6-methyl-1H-pyrimidin-4-one Formula: C16H20N2OS MolecularWeight: 288.4078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C

InChI

InChI=1S/C16H20N2OS/c1-3-4-10-14-12(2)17-16(18-15(14)19)20-11-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3,(H,17,18,19)