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

Systemtic Name: 3-(1-ethyl-3-methyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzoic acid Openeye Name: 3-(1-ethyl-3-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzoic acid CAS Name: 3-(1-ethyl-3-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxybenzoic acid IUPAC Name: 3-(1-ethyl-3-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxybenzoic acid Traditional Name: 3-(1-ethyl-4-keto-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzoic acid Formula: C18H20N4O4 MolecularWeight: 356.3758

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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)CC)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4/c1-4-8-26-13-7-6-11(18(24)25)9-12(13)15-19-16-14(17(23)20-15)10(3)21-22(16)5-2/h6-7,9,21H,4-5,8H2,1-3H3,(H,24,25)