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

Systemtic Name: 6-[(4S)-4-(2-butoxy-3-methoxy-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-butoxy-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-(2-butoxy-3-methoxyphenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]-3-pyridazinolate IUPAC Name: 6-[(4S)-4-(2-butoxy-3-methoxyphenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Traditional Name: 6-[(4S)-4-(2-butoxy-3-methoxy-phenyl)-6-keto-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Formula: C22H24N5O4- MolecularWeight: 422.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC=C1OC)C2CC(=O)N=C3C2=C(NN3C4=NN=C(C=C4)[O-])C

Isomeric SMILES

CCCCOC1=C(C=CC=C1OC)[C@H]2CC(=O)N=C3C2=C(NN3C4=NN=C(C=C4)[O-])C

InChI

InChI=1S/C22H25N5O4/c1-4-5-11-31-21-14(7-6-8-16(21)30-3)15-12-19(29)23-22-20(15)13(2)26-27(22)17-9-10-18(28)25-24-17/h6-10,15,26H,4-5,11-12H2,1-3H3,(H,25,28)/p-1/t15-/m1/s1