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

Systemtic Name: 6-methyl-5-(3-methylbutyl)-2-propylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-isopentyl-6-methyl-2-propylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-methyl-5-(3-methylbutyl)-2-(propylthio)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-(3-methylbutyl)-2-propylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-isoamyl-6-methyl-2-(propylthio)-1H-pyrimidin-4-one Formula: C13H22N2OS MolecularWeight: 254.39158

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C(=C(N1)C)CCC(C)C

Isomeric SMILES

CCCSC1=NC(=O)C(=C(N1)C)CCC(C)C

InChI

InChI=1S/C13H22N2OS/c1-5-8-17-13-14-10(4)11(12(16)15-13)7-6-9(2)3/h9H,5-8H2,1-4H3,(H,14,15,16)