6-[(4R)-4-(3-ethoxy-4-prop-2-ynoxy-phenyl)-3-methyl-6-oxidanylidene-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate

Systemtic Name: 6-[(4R)-4-(3-ethoxy-4-prop-2-ynoxy-phenyl)-3-methyl-6-oxidanylidene-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Openeye Name: 6-[(4R)-4-(3-ethoxy-4-prop-2-ynoxy-phenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate CAS Name: 6-[(4R)-4-(3-ethoxy-4-prop-2-ynoxyphenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]-3-pyridazinolate IUPAC Name: 6-[(4R)-4-(3-ethoxy-4-prop-2-ynoxyphenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Traditional Name: 6-[(4R)-4-(3-ethoxy-4-propargyloxy-phenyl)-6-keto-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Formula: C22H20N5O4- MolecularWeight: 418.4253

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2CC(=O)N=C3C2=C(NN3C4=NN=C(C=C4)[O-])C)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2CC(=O)N=C3C2=C(NN3C4=NN=C(C=C4)[O-])C)OCC#C

InChI

InChI=1S/C22H21N5O4/c1-4-10-31-16-7-6-14(11-17(16)30-5-2)15-12-20(29)23-22-21(15)13(3)26-27(22)18-8-9-19(28)25-24-18/h1,6-9,11,15,26H,5,10,12H2,2-3H3,(H,25,28)/p-1/t15-/m1/s1