2-[(1-tert-butyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(1-tert-butyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(1-tert-butyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetic acid CAS Name: 2-[(1-tert-butyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetic acid IUPAC Name: 2-[(1-tert-butyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetic acid Traditional Name: 2-[(1-tert-butyl-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetic acid Formula: C11H14N4O3S MolecularWeight: 282.31886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=NC(=NC(=O)C2=CN1)SCC(=O)O

Isomeric SMILES

CC(C)(C)N1C2=NC(=NC(=O)C2=CN1)SCC(=O)O

InChI

InChI=1S/C11H14N4O3S/c1-11(2,3)15-8-6(4-12-15)9(18)14-10(13-8)19-5-7(16)17/h4,12H,5H2,1-3H3,(H,16,17)