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

Systemtic Name: 6-[(4S)-4-(2-bromophenyl)-3-methyl-6-oxidanylidene-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Openeye Name: 6-[(4S)-4-(2-bromophenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate CAS Name: 6-[(4S)-4-(2-bromophenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]-3-pyridazinolate IUPAC Name: 6-[(4S)-4-(2-bromophenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Traditional Name: 6-[(4S)-4-(2-bromophenyl)-6-keto-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Formula: C17H13BrN5O2- MolecularWeight: 399.22142

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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=C4Br

Isomeric SMILES

CC1=C2[C@H](CC(=O)N=C2N(N1)C3=NN=C(C=C3)[O-])C4=CC=CC=C4Br

InChI

InChI=1S/C17H14BrN5O2/c1-9-16-11(10-4-2-3-5-12(10)18)8-15(25)19-17(16)23(22-9)13-6-7-14(24)21-20-13/h2-7,11,22H,8H2,1H3,(H,21,24)/p-1/t11-/m1/s1