5-heptyl-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-heptyl-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-heptyl-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-heptyl-6-methyl-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 5-heptyl-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-heptyl-6-methyl-2-(methylthio)-1H-pyrimidin-4-one Formula: C13H22N2OS MolecularWeight: 254.39158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(NC(=NC1=O)SC)C

Isomeric SMILES

CCCCCCCC1=C(NC(=NC1=O)SC)C

InChI

InChI=1S/C13H22N2OS/c1-4-5-6-7-8-9-11-10(2)14-13(17-3)15-12(11)16/h4-9H2,1-3H3,(H,14,15,16)