6-[(4S)-3-methyl-6-oxidanylidene-4-(2-propan-2-yloxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate

Systemtic Name: 6-[(4S)-3-methyl-6-oxidanylidene-4-(2-propan-2-yloxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Openeye Name: 6-[(4S)-4-(2-isopropoxyphenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate CAS Name: 6-[(4S)-3-methyl-6-oxo-4-(2-propan-2-yloxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]-3-pyridazinolate IUPAC Name: 6-[(4S)-3-methyl-6-oxo-4-(2-propan-2-yloxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Traditional Name: 6-[(4S)-4-(2-isopropoxyphenyl)-6-keto-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Formula: C20H20N5O3- MolecularWeight: 378.4045

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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=C4OC(C)C

Isomeric SMILES

CC1=C2[C@H](CC(=O)N=C2N(N1)C3=NN=C(C=C3)[O-])C4=CC=CC=C4OC(C)C

InChI

InChI=1S/C20H21N5O3/c1-11(2)28-15-7-5-4-6-13(15)14-10-18(27)21-20-19(14)12(3)24-25(20)16-8-9-17(26)23-22-16/h4-9,11,14,24H,10H2,1-3H3,(H,23,26)/p-1/t14-/m1/s1