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

Systemtic Name: 5-(3-methylbutyl)-4-oxidanyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one Openeye Name: 2-allylsulfanyl-4-hydroxy-5-isopentyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-(3-methylbutyl)-2-(prop-2-enylthio)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-(3-methylbutyl)-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one Traditional Name: 2-(allylthio)-4-hydroxy-5-isoamyl-1H-pyrimidin-6-one Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(N=C(NC1=O)SCC=C)O

Isomeric SMILES

CC(C)CCC1=C(N=C(NC1=O)SCC=C)O

InChI

InChI=1S/C12H18N2O2S/c1-4-7-17-12-13-10(15)9(11(16)14-12)6-5-8(2)3/h4,8H,1,5-7H2,2-3H3,(H2,13,14,15,16)