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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)C2=NN=C(C=C2)C3=NC=C(N3)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)C2=NN=C(C=C2)C3=NC=C(N3)CCC(=O)O

InChI

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