[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 2-azanyl-5-bromanyl-pyridine-3-carboxylate

Systemtic Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 2-azanyl-5-bromanyl-pyridine-3-carboxylate Openeye Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 2-amino-5-bromo-pyridine-3-carboxylate CAS Name: 2-amino-5-bromo-3-pyridinecarboxylic acid [2-[[amino-[(6-phenyl-3-pyridazinyl)imino]methyl]amino]phenyl] ester IUPAC Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 2-amino-5-bromopyridine-3-carboxylate Traditional Name: 2-amino-5-bromo-nicotinic acid [2-[[N'-(6-phenylpyridazin-3-yl)amidino]amino]phenyl] ester Formula: C23H18BrN7O2 MolecularWeight: 504.33872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)N=C(N)NC3=CC=CC=C3OC(=O)C4=CC(=CN=C4N)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)N=C(N)NC3=CC=CC=C3OC(=O)C4=CC(=CN=C4N)Br

InChI

InChI=1S/C23H18BrN7O2/c24-15-12-16(21(25)27-13-15)22(32)33-19-9-5-4-8-18(19)28-23(26)29-20-11-10-17(30-31-20)14-6-2-1-3-7-14/h1-13H,(H2,25,27)(H3,26,28,29,31)