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

Systemtic Name: methyl 2-azanyl-3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoate Openeye Name: methyl 2-amino-3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoate CAS Name: 2-amino-3-[2-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-1H-imidazol-5-yl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoate Traditional Name: 3-[2-[6-(4-amidinophenyl)pyridazin-3-yl]-1H-imidazol-5-yl]-2-amino-propionic acid methyl ester Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O2/c1-27-18(26)13(19)8-12-9-22-17(23-12)15-7-6-14(24-25-15)10-2-4-11(5-3-10)16(20)21/h2-7,9,13H,8,19H2,1H3,(H3,20,21)(H,22,23)