3-[1-(4-fluorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanoate

Systemtic Name: 3-[1-(4-fluorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanoate Openeye Name: 3-[1-(4-fluorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]propanoate CAS Name: 3-[1-(4-fluorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]propanoate IUPAC Name: 3-[1-(4-fluorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]propanoate Traditional Name: 3-[1-(4-fluorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]propionate Formula: C14H10FN4O3- MolecularWeight: 301.252603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)[O-])F

InChI

InChI=1S/C14H11FN4O3/c15-9-1-3-10(4-2-9)19-13-11(7-17-19)14(22)18(8-16-13)6-5-12(20)21/h1-4,7-8H,5-6H2,(H,20,21)/p-1