2-(4-oxidanylidene-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylethanoate

Systemtic Name: 2-(4-oxidanylidene-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylethanoate Openeye Name: 2-(4-oxo-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylacetate CAS Name: 2-[(4-oxo-1,5-diphenyl-6-pyrazolo[3,4-d]pyrimidinyl)thio]acetate IUPAC Name: 2-(4-oxo-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylacetate Traditional Name: 2-[(4-keto-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetate Formula: C19H13N4O3S- MolecularWeight: 377.39652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)SCC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)SCC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C19H14N4O3S/c24-16(25)12-27-19-21-17-15(11-20-23(17)14-9-5-2-6-10-14)18(26)22(19)13-7-3-1-4-8-13/h1-11H,12H2,(H,24,25)/p-1