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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(C)C

InChI

InChI=1S/C16H20N2OS/c1-11(2)9-14-12(3)17-16(18-15(14)19)20-10-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,17,18,19)