6-methyl-5-pentyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=NC1=O)SCC=C)C

Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)SCC=C)C

InChI

InChI=1S/C13H20N2OS/c1-4-6-7-8-11-10(3)14-13(15-12(11)16)17-9-5-2/h5H,2,4,6-9H2,1,3H3,(H,14,15,16)