6-methyl-5-[2-(3-methylbutylsulfanyl)ethyl]-2-pentylsulfanyl-5H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[2-(3-methylbutylsulfanyl)ethyl]-2-pentylsulfanyl-5H-pyrimidin-4-one Openeye Name: 5-(2-isopentylsulfanylethyl)-6-methyl-2-pentylsulfanyl-5H-pyrimidin-4-one CAS Name: 6-methyl-5-[2-(3-methylbutylthio)ethyl]-2-(pentylthio)-5H-pyrimidin-4-one IUPAC Name: 6-methyl-5-[2-(3-methylbutylsulfanyl)ethyl]-2-pentylsulfanyl-5H-pyrimidin-4-one Traditional Name: 2-(amylthio)-5-[2-(isoamylthio)ethyl]-6-methyl-5H-pyrimidin-4-one Formula: C17H30N2OS2 MolecularWeight: 342.5629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2OS2/c1-5-6-7-10-22-17-18-14(4)15(16(20)19-17)9-12-21-11-8-13(2)3/h13,15H,5-12H2,1-4H3