methyl 3-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-pyridazine-4-carbonyl]amino]propanoate CAS Name: 3-[[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]propanoate Traditional Name: 3-[[6-(4-amidinophenyl)-3-keto-2-methyl-pyridazine-4-carbonyl]amino]propionic acid methyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NCCC(=O)OC

Isomeric SMILES

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NCCC(=O)OC

InChI

InChI=1S/C17H19N5O4/c1-22-17(25)12(16(24)20-8-7-14(23)26-2)9-13(21-22)10-3-5-11(6-4-10)15(18)19/h3-6,9H,7-8H2,1-2H3,(H3,18,19)(H,20,24)