[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-azanylpyridine-4-carboxylate

Systemtic Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-azanylpyridine-4-carboxylate Openeye Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-aminopyridine-4-carboxylate CAS Name: 3-amino-4-pyridinecarboxylic acid [2-[[amino-[(6-phenyl-3-pyridazinyl)imino]methyl]amino]phenyl] ester IUPAC Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-aminopyridine-4-carboxylate Traditional Name: 3-aminoisonicotinic acid [2-[[N'-(6-phenylpyridazin-3-yl)amidino]amino]phenyl] ester Formula: C23H19N7O2 MolecularWeight: 425.44266

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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=C(C=NC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)N=C(N)NC3=CC=CC=C3OC(=O)C4=C(C=NC=C4)N

InChI

InChI=1S/C23H19N7O2/c24-17-14-26-13-12-16(17)22(31)32-20-9-5-4-8-19(20)27-23(25)28-21-11-10-18(29-30-21)15-6-2-1-3-7-15/h1-14H,24H2,(H3,25,27,28,30)