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

Systemtic Name: 6-methyl-5-(3-methylbutyl)-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Openeye Name: 2-allylsulfanyl-5-isopentyl-6-methyl-1H-pyrimidin-4-one CAS Name: 6-methyl-5-(3-methylbutyl)-2-(prop-2-enylthio)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-(3-methylbutyl)-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(allylthio)-5-isoamyl-6-methyl-1H-pyrimidin-4-one Formula: C13H20N2OS MolecularWeight: 252.3757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2OS/c1-5-8-17-13-14-10(4)11(12(16)15-13)7-6-9(2)3/h5,9H,1,6-8H2,2-4H3,(H,14,15,16)