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

Systemtic Name: 4-[(4S)-1-(6-methoxypyridazin-3-yl)-3-methyl-6-oxidanylidene-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate Openeye Name: 4-[(4S)-1-(6-methoxypyridazin-3-yl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate CAS Name: 4-[(4S)-1-(6-methoxy-3-pyridazinyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate IUPAC Name: 4-[(4S)-1-(6-methoxypyridazin-3-yl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate Traditional Name: 4-[(4S)-6-keto-1-(6-methoxypyridazin-3-yl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate Formula: C19H16N5O4- MolecularWeight: 378.36144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O4/c1-10-17-13(11-3-5-12(6-4-11)19(26)27)9-15(25)20-18(17)24(23-10)14-7-8-16(28-2)22-21-14/h3-8,13,23H,9H2,1-2H3,(H,26,27)/p-1/t13-/m0/s1