6-methyl-5-(2-methylprop-2-enyl)-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-(2-methylprop-2-enyl)-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-isobutylsulfanyl-6-methyl-5-(2-methylallyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-(2-methylprop-2-enyl)-2-(2-methylpropylthio)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-(2-methylprop-2-enyl)-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 2-(isobutylthio)-6-methyl-5-(2-methylallyl)-1H-pyrimidin-4-one Formula: C13H20N2OS MolecularWeight: 252.3757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(C)C)CC(=C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(C)C)CC(=C)C

InChI

InChI=1S/C13H20N2OS/c1-8(2)6-11-10(5)14-13(15-12(11)16)17-7-9(3)4/h9H,1,6-7H2,2-5H3,(H,14,15,16)