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

Systemtic Name: methyl 4-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]butanoate Openeye Name: methyl 4-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]butanoate CAS Name: 4-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-4-imidazolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]butanoate Traditional Name: 4-[1-[6-(4-amidinophenyl)pyridazin-3-yl]imidazol-4-yl]butyric acid methyl ester Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CN(C=N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCCC1=CN(C=N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H20N6O2/c1-27-18(26)4-2-3-15-11-25(12-22-15)17-10-9-16(23-24-17)13-5-7-14(8-6-13)19(20)21/h5-12H,2-4H2,1H3,(H3,20,21)