3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]-2-methyl-propanoic acid

Systemtic Name: 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]-2-methyl-propanoic acid Openeye Name: 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]-2-methyl-propanoic acid CAS Name: 3-[2-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-1H-imidazol-5-yl]-2-methylpropanoic acid IUPAC Name: 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]-2-methylpropanoic acid Traditional Name: 3-[2-[6-(4-amidinophenyl)pyridazin-3-yl]-1H-imidazol-5-yl]-2-methyl-propionic acid Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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