3-[1-(6-carbamimidoyl-4-phenyl-pyridazin-3-yl)imidazol-4-yl]propanoic acid

Systemtic Name: 3-[1-(6-carbamimidoyl-4-phenyl-pyridazin-3-yl)imidazol-4-yl]propanoic acid Openeye Name: 3-[1-(6-carbamimidoyl-4-phenyl-pyridazin-3-yl)imidazol-4-yl]propanoic acid CAS Name: 3-[1-(6-carbamimidoyl-4-phenyl-3-pyridazinyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-[1-(6-carbamimidoyl-4-phenylpyridazin-3-yl)imidazol-4-yl]propanoic acid Traditional Name: 3-[1-(6-amidino-4-phenyl-pyridazin-3-yl)imidazol-4-yl]propionic acid Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN=C2N3C=C(N=C3)CCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN=C2N3C=C(N=C3)CCC(=O)O)C(=N)N

InChI

InChI=1S/C17H16N6O2/c18-16(19)14-8-13(11-4-2-1-3-5-11)17(22-21-14)23-9-12(20-10-23)6-7-15(24)25/h1-5,8-10H,6-7H2,(H3,18,19)(H,24,25)