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2-heptylsulfanyl-1H-pyrimidin-6-one

2-heptylsulfanyl-1H-pyrimidin-6-one

Systemtic Name:2-heptylsulfanyl-1H-pyrimidin-6-one
Openeye Name:2-heptylsulfanyl-1H-pyrimidin-6-one
CAS Name:2-(heptylthio)-1H-pyrimidin-6-one
IUPAC Name:2-heptylsulfanyl-1H-pyrimidin-6-one
Traditional Name:2-(heptylthio)-1H-pyrimidin-6-one
Formula: C11H18N2OS
MolecularWeight: 226.33842
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC=CC(=O)N1


Isomeric SMILES

CCCCCCCSC1=NC=CC(=O)N1


InChI

InChI=1S/C11H18N2OS/c1-2-3-4-5-6-9-15-11-12-8-7-10(14)13-11/h7-8H,2-6,9H2,1H3,(H,12,13,14)


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