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

Systemtic Name: 6-[(4R)-3-methyl-6-oxidanylidene-4-(3-prop-2-ynoxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Openeye Name: 6-[(4R)-3-methyl-6-oxo-4-(3-prop-2-ynoxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate CAS Name: 6-[(4R)-3-methyl-6-oxo-4-(3-prop-2-ynoxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]-3-pyridazinolate IUPAC Name: 6-[(4R)-3-methyl-6-oxo-4-(3-prop-2-ynoxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Traditional Name: 6-[(4R)-6-keto-3-methyl-4-(3-propargyloxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Formula: C20H16N5O3- MolecularWeight: 374.37274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(CC(=O)N=C2N(N1)C3=NN=C(C=C3)[O-])C4=CC(=CC=C4)OCC#C

Isomeric SMILES

CC1=C2[C@H](CC(=O)N=C2N(N1)C3=NN=C(C=C3)[O-])C4=CC(=CC=C4)OCC#C

InChI

InChI=1S/C20H17N5O3/c1-3-9-28-14-6-4-5-13(10-14)15-11-18(27)21-20-19(15)12(2)24-25(20)16-7-8-17(26)23-22-16/h1,4-8,10,15,24H,9,11H2,2H3,(H,23,26)/p-1/t15-/m1/s1