6-methyl-5-(3-methylbutyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-(3-methylbutyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-isopentyl-6-methyl-1H-pyrimidin-4-one CAS Name: 6-methyl-5-(3-methylbutyl)-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-isoamyl-6-methyl-1H-pyrimidin-4-one Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2OS/c1-12(2)9-10-15-13(3)18-17(19-16(15)20)21-11-14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H,18,19,20)