6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[(2-keto-2-piperidino-ethyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C12H14N5O2S- MolecularWeight: 292.33686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-]

InChI

InChI=1S/C12H15N5O2S/c18-9(17-4-2-1-3-5-17)7-20-12-14-10-8(6-13-16-10)11(19)15-12/h6H,1-5,7H2,(H2,13,14,15,16,19)/p-1