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

Systemtic Name: 6-phenacylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-phenacylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-(phenacylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-phenacylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-(phenacylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C13H9N4O2S- MolecularWeight: 285.30116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O2S/c18-10(8-4-2-1-3-5-8)7-20-13-15-11-9(6-14-17-11)12(19)16-13/h1-6H,7H2,(H2,14,15,16,17,19)/p-1