2-[5-(4-fluorophenyl)-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylethanoic acid

Systemtic Name: 2-[5-(4-fluorophenyl)-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylethanoic acid Openeye Name: 2-[5-(4-fluorophenyl)-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylacetic acid CAS Name: 2-[[5-(4-fluorophenyl)-4-oxo-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[5-(4-fluorophenyl)-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanylacetic acid Traditional Name: 2-[[5-(4-fluorophenyl)-4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetic acid Formula: C19H13FN4O3S MolecularWeight: 396.394923

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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=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)SCC(=O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H13FN4O3S/c20-12-6-8-13(9-7-12)23-18(27)15-10-21-24(14-4-2-1-3-5-14)17(15)22-19(23)28-11-16(25)26/h1-10H,11H2,(H,25,26)