3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]-2-(dimethylamino)propanoic acid

Systemtic Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]-2-(dimethylamino)propanoic acid Openeye Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]-2-(dimethylamino)propanoic acid CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-4-imidazolyl]-2-(dimethylamino)propanoic acid IUPAC Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]-2-(dimethylamino)propanoic acid Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]imidazol-4-yl]-2-(dimethylamino)propionic acid Formula: C19H21N7O2 MolecularWeight: 379.41574

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC1=CN(C=N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CN(C)C(CC1=CN(C=N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C19H21N7O2/c1-25(2)16(19(27)28)9-14-10-26(11-22-14)17-8-7-15(23-24-17)12-3-5-13(6-4-12)18(20)21/h3-8,10-11,16H,9H2,1-2H3,(H3,20,21)(H,27,28)