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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)O)C2=NC(=O)C3=C(NN(C3=N2)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)O)C2=NC(=O)C3=C(NN(C3=N2)C)C

InChI

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