6-butylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 6-butylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-butylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-(butylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-butylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-(butylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C9H11N4OS- MolecularWeight: 223.27484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C=NN2)C(=N1)[O-]

Isomeric SMILES

CCCCSC1=NC2=C(C=NN2)C(=N1)[O-]

InChI

InChI=1S/C9H12N4OS/c1-2-3-4-15-9-11-7-6(5-10-13-7)8(14)12-9/h5H,2-4H2,1H3,(H2,10,11,12,13,14)/p-1