5-butyl-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-butyl-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-butyl-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-butyl-6-methyl-2-(pentylthio)-1H-pyrimidin-4-one IUPAC Name: 5-butyl-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(amylthio)-5-butyl-6-methyl-1H-pyrimidin-4-one Formula: C14H24N2OS MolecularWeight: 268.41816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=C(N1)C)CCCC

Isomeric SMILES

CCCCCSC1=NC(=O)C(=C(N1)C)CCCC

InChI

InChI=1S/C14H24N2OS/c1-4-6-8-10-18-14-15-11(3)12(9-7-5-2)13(17)16-14/h4-10H2,1-3H3,(H,15,16,17)