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

Systemtic Name: 6-methyl-5-(3-methylbutyl)-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-isopentyl-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-methyl-5-(3-methylbutyl)-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-(3-methylbutyl)-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-isoamyl-6-methyl-2-(methylthio)-1H-pyrimidin-4-one Formula: C11H18N2OS MolecularWeight: 226.33842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(C)C

InChI

InChI=1S/C11H18N2OS/c1-7(2)5-6-9-8(3)12-11(15-4)13-10(9)14/h7H,5-6H2,1-4H3,(H,12,13,14)