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

Systemtic Name: 5-azanyl-3-heptylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 5-amino-3-heptylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 5-amino-3-(heptylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 5-amino-3-heptylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 5-amino-3-(heptylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C12H19N5OS MolecularWeight: 281.37716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NNC2=NC(=O)C=C(N21)N

Isomeric SMILES

CCCCCCCSC1=NNC2=NC(=O)C=C(N21)N

InChI

InChI=1S/C12H19N5OS/c1-2-3-4-5-6-7-19-12-16-15-11-14-10(18)8-9(13)17(11)12/h8H,2-7,13H2,1H3,(H,14,15,18)