6-methyl-2-(3-methylbutylsulfanyl)-5-octyl-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-(3-methylbutylsulfanyl)-5-octyl-1H-pyrimidin-4-one Openeye Name: 2-isopentylsulfanyl-6-methyl-5-octyl-1H-pyrimidin-4-one CAS Name: 6-methyl-2-(3-methylbutylthio)-5-octyl-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-(3-methylbutylsulfanyl)-5-octyl-1H-pyrimidin-4-one Traditional Name: 2-(isoamylthio)-6-methyl-5-octyl-1H-pyrimidin-4-one Formula: C18H32N2OS MolecularWeight: 324.52448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(NC(=NC1=O)SCCC(C)C)C

Isomeric SMILES

CCCCCCCCC1=C(NC(=NC1=O)SCCC(C)C)C

InChI

InChI=1S/C18H32N2OS/c1-5-6-7-8-9-10-11-16-15(4)19-18(20-17(16)21)22-13-12-14(2)3/h14H,5-13H2,1-4H3,(H,19,20,21)