methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]-2-methoxy-propanoate

Systemtic Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]-2-methoxy-propanoate Openeye Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]-2-methoxy-propanoate CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-4-imidazolyl]-2-methoxypropanoic acid methyl ester IUPAC Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]-2-methoxypropanoate Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]imidazol-4-yl]-2-methoxy-propionic acid methyl ester Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O3/c1-27-16(19(26)28-2)9-14-10-25(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)