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

Systemtic Name: 6-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-(tert-butylamino)-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-(tert-butylamino)-2-keto-ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C11H14N5O2S- MolecularWeight: 280.32616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=C(C=NN2)C(=N1)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=C(C=NN2)C(=N1)[O-]

InChI

InChI=1S/C11H15N5O2S/c1-11(2,3)15-7(17)5-19-10-13-8-6(4-12-16-8)9(18)14-10/h4H,5H2,1-3H3,(H,15,17)(H2,12,13,14,16,18)/p-1