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5-azanyl-3-hexylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate

5-azanyl-3-hexylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate

Systemtic Name:5-azanyl-3-hexylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate
Openeye Name:5-amino-3-hexylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate
CAS Name:5-amino-3-(hexylthio)-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate
IUPAC Name:5-amino-3-hexylsulfanyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate
Traditional Name:5-amino-3-(hexylthio)-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate
Formula: C11H16N5OS-
MolecularWeight: 266.34264
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN=C2N1C(=CC(=N2)[O-])N


Isomeric SMILES

CCCCCCSC1=NN=C2N1C(=CC(=N2)[O-])N


InChI

InChI=1S/C11H17N5OS/c1-2-3-4-5-6-18-11-15-14-10-13-9(17)7-8(12)16(10)11/h7H,2-6,12H2,1H3,(H,13,14,17)/p-1


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