5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-2-isobutylsulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-(2-methylpropylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-(2-methylpropylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-(2,5-dimethylbenzyl)-2-(isobutylthio)-6-methyl-1H-pyrimidin-4-one Formula: C18H24N2OS MolecularWeight: 316.46096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=C(NC(=NC2=O)SCC(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C(NC(=NC2=O)SCC(C)C)C

InChI

InChI=1S/C18H24N2OS/c1-11(2)10-22-18-19-14(5)16(17(21)20-18)9-15-8-12(3)6-7-13(15)4/h6-8,11H,9-10H2,1-5H3,(H,19,20,21)