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

Systemtic Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-methyl-imidazol-4-yl]propanoic acid Openeye Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-methyl-imidazol-4-yl]propanoic acid CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-2-methyl-4-imidazolyl]propanoic acid IUPAC Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-methylimidazol-4-yl]propanoic acid Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]-2-methyl-imidazol-4-yl]propionic acid Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

CC1=NC(=CN1C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C18H18N6O2/c1-11-21-14(6-9-17(25)26)10-24(11)16-8-7-15(22-23-16)12-2-4-13(5-3-12)18(19)20/h2-5,7-8,10H,6,9H2,1H3,(H3,19,20)(H,25,26)