2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoic acid

Systemtic Name: 2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoic acid Openeye Name: 2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid CAS Name: 2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid IUPAC Name: 2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid Traditional Name: 2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)N2C=NC3=C(C2=S)C=NN3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)N2C=NC3=C(C2=S)C=NN3

InChI

InChI=1S/C13H10N4O2S/c18-13(19)10(8-4-2-1-3-5-8)17-7-14-11-9(12(17)20)6-15-16-11/h1-7,10H,(H,15,16)(H,18,19)