6-methyl-5-octyl-2-propan-2-ylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-octyl-2-propan-2-ylsulfanyl-1H-pyrimidin-4-one Openeye Name: 2-isopropylsulfanyl-6-methyl-5-octyl-1H-pyrimidin-4-one CAS Name: 6-methyl-5-octyl-2-(propan-2-ylthio)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-octyl-2-propan-2-ylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(isopropylthio)-6-methyl-5-octyl-1H-pyrimidin-4-one Formula: C16H28N2OS MolecularWeight: 296.47132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(NC(=NC1=O)SC(C)C)C

Isomeric SMILES

CCCCCCCCC1=C(NC(=NC1=O)SC(C)C)C

InChI

InChI=1S/C16H28N2OS/c1-5-6-7-8-9-10-11-14-13(4)17-16(18-15(14)19)20-12(2)3/h12H,5-11H2,1-4H3,(H,17,18,19)