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

Systemtic Name: 3-(4-oxidanylidene-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpropanoic acid Openeye Name: 3-(4-oxo-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpropanoic acid CAS Name: 3-[(4-oxo-1,5-diphenyl-6-pyrazolo[3,4-d]pyrimidinyl)thio]propanoic acid IUPAC Name: 3-(4-oxo-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpropanoic acid Traditional Name: 3-[(4-keto-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]propionic acid Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O3S/c25-17(26)11-12-28-20-22-18-16(13-21-24(18)15-9-5-2-6-10-15)19(27)23(20)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,25,26)