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

Systemtic Name: 6-[(4S)-4-(2-butoxyphenyl)-3-methyl-6-oxidanylidene-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Openeye Name: 6-[(4S)-4-(2-butoxyphenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate CAS Name: 6-[(4S)-4-(2-butoxyphenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]-3-pyridazinolate IUPAC Name: 6-[(4S)-4-(2-butoxyphenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Traditional Name: 6-[(4S)-4-(2-butoxyphenyl)-6-keto-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Formula: C21H22N5O3- MolecularWeight: 392.43108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2CC(=O)N=C3C2=C(NN3C4=NN=C(C=C4)[O-])C

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@H]2CC(=O)N=C3C2=C(NN3C4=NN=C(C=C4)[O-])C

InChI

InChI=1S/C21H23N5O3/c1-3-4-11-29-16-8-6-5-7-14(16)15-12-19(28)22-21-20(15)13(2)25-26(21)17-9-10-18(27)24-23-17/h5-10,15,25H,3-4,11-12H2,1-2H3,(H,24,27)/p-1/t15-/m1/s1