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

Systemtic Name: 6-[(4-chlorophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[(4-chlorophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[(4-chlorophenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[(4-chlorophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[(4-chlorobenzyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C12H8ClN4OS- MolecularWeight: 291.73612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(C=NN3)C(=N2)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(C=NN3)C(=N2)[O-])Cl

InChI

InChI=1S/C12H9ClN4OS/c13-8-3-1-7(2-4-8)6-19-12-15-10-9(5-14-17-10)11(18)16-12/h1-5H,6H2,(H2,14,15,16,17,18)/p-1