6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-(o-tolylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[(2-methylphenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[(2-methylphenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[(2-methylbenzyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C13H11N4OS- MolecularWeight: 271.31764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C=NN3)C(=N2)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=NN3)C(=N2)[O-]

InChI

InChI=1S/C13H12N4OS/c1-8-4-2-3-5-9(8)7-19-13-15-11-10(6-14-17-11)12(18)16-13/h2-6H,7H2,1H3,(H2,14,15,16,17,18)/p-1