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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCCC1C(=NC(=NC1=O)SCCC(C)C)C

Isomeric SMILES

CCCCCSCCC1C(=NC(=NC1=O)SCCC(C)C)C

InChI

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