5-azanyl-3-octylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

Systemtic Name: 5-azanyl-3-octylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 5-amino-3-octylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 5-amino-3-(octylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 5-amino-3-octylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 5-amino-3-(octylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C13H21N5OS MolecularWeight: 295.40374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NNC2=NC(=O)C=C(N21)N

Isomeric SMILES

CCCCCCCCSC1=NNC2=NC(=O)C=C(N21)N

InChI

InChI=1S/C13H21N5OS/c1-2-3-4-5-6-7-8-20-13-17-16-12-15-11(19)9-10(14)18(12)13/h9H,2-8,14H2,1H3,(H,15,16,19)