4-ethoxy-3-(4-oxidanylidene-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzoic acid

Systemtic Name: 4-ethoxy-3-(4-oxidanylidene-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzoic acid Openeye Name: 4-ethoxy-3-(4-oxo-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzoic acid CAS Name: 4-ethoxy-3-(4-oxo-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzoic acid IUPAC Name: 4-ethoxy-3-(4-oxo-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzoic acid Traditional Name: 4-ethoxy-3-(4-keto-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzoic acid Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=CN1)C3=C(C=CC(=C3)C(=O)O)OCC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=CN1)C3=C(C=CC(=C3)C(=O)O)OCC

InChI

InChI=1S/C17H18N4O4/c1-3-7-21-15-12(9-18-21)16(22)20-14(19-15)11-8-10(17(23)24)5-6-13(11)25-4-2/h5-6,8-9,18H,3-4,7H2,1-2H3,(H,23,24)