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

Systemtic Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]-2-methyl-propanoate Openeye Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]-2-methyl-propanoate CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-4-imidazolyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]-2-methylpropanoate Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]imidazol-4-yl]-2-methyl-propionic acid methyl ester Formula: C19H20N6O2 MolecularWeight: 364.4011

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O2/c1-12(19(26)27-2)9-15-10-25(11-22-15)17-8-7-16(23-24-17)13-3-5-14(6-4-13)18(20)21/h3-8,10-12H,9H2,1-2H3,(H3,20,21)