3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoic acid

Systemtic Name: 3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoic acid Openeye Name: 3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoic acid CAS Name: 3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid IUPAC Name: 3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanoic acid Traditional Name: 3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)O

InChI

InChI=1S/C14H12N4O3/c19-12(20)6-7-17-9-15-13-11(14(17)21)8-16-18(13)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)