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

Systemtic Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-2-yl]-2-(dimethylamino)propanoate Openeye Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-2-yl]-2-(dimethylamino)propanoate CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-2-imidazolyl]-2-(dimethylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-2-yl]-2-(dimethylamino)propanoate Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]imidazol-2-yl]-2-(dimethylamino)propionic acid methyl ester Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC1=NC=CN1C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=O)OC

Isomeric SMILES

CN(C)C(CC1=NC=CN1C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C20H23N7O2/c1-26(2)16(20(28)29-3)12-18-23-10-11-27(18)17-9-8-15(24-25-17)13-4-6-14(7-5-13)19(21)22/h4-11,16H,12H2,1-3H3,(H3,21,22)