2-(5-oxidanylidenehexylsulfanyl)-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-(5-oxidanylidenehexylsulfanyl)-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-(5-oxohexylsulfanyl)-6-propyl-1H-pyrimidin-4-one CAS Name: 2-(5-oxohexylthio)-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-(5-oxohexylsulfanyl)-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-(5-ketohexylthio)-6-propyl-1H-pyrimidin-4-one Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCCCC(=O)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCCCC(=O)C

InChI

InChI=1S/C13H20N2O2S/c1-3-6-11-9-12(17)15-13(14-11)18-8-5-4-7-10(2)16/h9H,3-8H2,1-2H3,(H,14,15,17)