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

Systemtic Name: 6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-(phenylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-(benzylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C12H9N4OS- MolecularWeight: 257.29106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)[O-]

InChI

InChI=1S/C12H10N4OS/c17-11-9-6-13-16-10(9)14-12(15-11)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14,15,16,17)/p-1