6-(3-methylbutylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 6-(3-methylbutylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-isopentylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-(3-methylbutylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-(3-methylbutylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-(isoamylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C10H13N4OS- MolecularWeight: 237.30142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C=NN2)C(=N1)[O-]

Isomeric SMILES

CC(C)CCSC1=NC2=C(C=NN2)C(=N1)[O-]

InChI

InChI=1S/C10H14N4OS/c1-6(2)3-4-16-10-12-8-7(5-11-14-8)9(15)13-10/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15)/p-1