6-methyl-2-[4-(4-methylphenyl)sulfanylbutylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[4-(4-methylphenyl)sulfanylbutylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[4-(p-tolylsulfanyl)butylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[4-[(4-methylphenyl)thio]butylthio]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[4-(4-methylphenyl)sulfanylbutylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[4-(p-tolylthio)butylthio]-1H-pyrimidin-4-one Formula: C16H20N2OS2 MolecularWeight: 320.4728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCSC2=NC(=O)C=C(N2)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCSC2=NC(=O)C=C(N2)C

InChI

InChI=1S/C16H20N2OS2/c1-12-5-7-14(8-6-12)20-9-3-4-10-21-16-17-13(2)11-15(19)18-16/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18,19)