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

Systemtic Name: 5-(3-methylbutyl)-2-(2-methylpropylsulfanyl)-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-isobutylsulfanyl-5-isopentyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-(3-methylbutyl)-2-(2-methylpropylthio)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-(3-methylbutyl)-2-(2-methylpropylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-isoamyl-2-(isobutylthio)-1H-pyrimidin-6-one Formula: C13H22N2O2S MolecularWeight: 270.39098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O2S/c1-8(2)5-6-10-11(16)14-13(15-12(10)17)18-7-9(3)4/h8-9H,5-7H2,1-4H3,(H2,14,15,16,17)