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

Systemtic Name: 6-[(4S)-4-(3-methoxy-2-propan-2-yloxy-phenyl)-3-methyl-6-oxidanylidene-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Openeye Name: 6-[(4S)-4-(2-isopropoxy-3-methoxy-phenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate CAS Name: 6-[(4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]-3-pyridazinolate IUPAC Name: 6-[(4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Traditional Name: 6-[(4S)-4-(2-isopropoxy-3-methoxy-phenyl)-6-keto-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Formula: C21H22N5O4- MolecularWeight: 408.43048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-11(2)30-20-13(6-5-7-15(20)29-4)14-10-18(28)22-21-19(14)12(3)25-26(21)16-8-9-17(27)24-23-16/h5-9,11,14,25H,10H2,1-4H3,(H,24,27)/p-1/t14-/m1/s1