6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-(3,3-dimethyl-2-oxo-butyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[(3,3-dimethyl-2-oxobutyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[(2-keto-3,3-dimethyl-butyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C11H13N4O2S- MolecularWeight: 265.31152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O2S/c1-11(2,3)7(16)5-18-10-13-8-6(4-12-15-8)9(17)14-10/h4H,5H2,1-3H3,(H2,12,13,14,15,17)/p-1