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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C(=O)N1)CCC(C)C)O

Isomeric SMILES

CCCCSC1=NC(=C(C(=O)N1)CCC(C)C)O

InChI

InChI=1S/C13H22N2O2S/c1-4-5-8-18-13-14-11(16)10(12(17)15-13)7-6-9(2)3/h9H,4-8H2,1-3H3,(H2,14,15,16,17)