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

Systemtic Name: 6-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C13H16N5O2S- MolecularWeight: 306.36344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-]

InChI

InChI=1S/C13H17N5O2S/c1-8-2-4-18(5-3-8)10(19)7-21-13-15-11-9(6-14-17-11)12(20)16-13/h6,8H,2-5,7H2,1H3,(H2,14,15,16,17,20)/p-1