2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetic acid CAS Name: 2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetic acid IUPAC Name: 2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-keto-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetic acid Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)O

InChI

InChI=1S/C13H10N4O3S/c18-10(19)7-21-13-15-11-9(6-14-16-11)12(20)17(13)8-4-2-1-3-5-8/h1-6H,7H2,(H,14,16)(H,18,19)