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

Systemtic Name: 2-(3-oxidanylidene-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-ethanoic acid Openeye Name: 2-(3-oxo-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-acetic acid CAS Name: 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenylacetic acid IUPAC Name: 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenylacetic acid Traditional Name: 2-(3-keto-4-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-5-yl)-2-phenyl-acetic acid Formula: C13H10N4O3S MolecularWeight: 302.3085

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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(=O)NN3

Isomeric SMILES

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

InChI

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