5-butyl-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-butyl-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-butyl-2-isopentylsulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-butyl-6-methyl-2-(3-methylbutylthio)-1H-pyrimidin-4-one IUPAC Name: 5-butyl-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-butyl-2-(isoamylthio)-6-methyl-1H-pyrimidin-4-one Formula: C14H24N2OS MolecularWeight: 268.41816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2OS/c1-5-6-7-12-11(4)15-14(16-13(12)17)18-9-8-10(2)3/h10H,5-9H2,1-4H3,(H,15,16,17)