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

Systemtic Name: 5-butyl-6-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Openeye Name: 2-allylsulfanyl-5-butyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-butyl-6-methyl-2-(prop-2-enylthio)-1H-pyrimidin-4-one IUPAC Name: 5-butyl-6-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(allylthio)-5-butyl-6-methyl-1H-pyrimidin-4-one Formula: C12H18N2OS MolecularWeight: 238.34912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=NC1=O)SCC=C)C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)SCC=C)C

InChI

InChI=1S/C12H18N2OS/c1-4-6-7-10-9(3)13-12(14-11(10)15)16-8-5-2/h5H,2,4,6-8H2,1,3H3,(H,13,14,15)