6-methyl-2-octylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-octylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-octylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-methyl-2-(octylthio)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-octylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-(octylthio)-1H-pyrimidin-4-one Formula: C13H22N2OS MolecularWeight: 254.39158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=O)C=C(N1)C

Isomeric SMILES

CCCCCCCCSC1=NC(=O)C=C(N1)C

InChI

InChI=1S/C13H22N2OS/c1-3-4-5-6-7-8-9-17-13-14-11(2)10-12(16)15-13/h10H,3-9H2,1-2H3,(H,14,15,16)