methyl 3-carbamimidoyl-4-[6-[4-(3-methoxy-3-oxidanylidene-propyl)imidazol-1-yl]pyridazin-3-yl]benzoate

Systemtic Name: methyl 3-carbamimidoyl-4-[6-[4-(3-methoxy-3-oxidanylidene-propyl)imidazol-1-yl]pyridazin-3-yl]benzoate Openeye Name: methyl 3-carbamimidoyl-4-[6-[4-(3-methoxy-3-oxo-propyl)imidazol-1-yl]pyridazin-3-yl]benzoate CAS Name: 3-carbamimidoyl-4-[6-[4-(3-methoxy-3-oxopropyl)-1-imidazolyl]-3-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-carbamimidoyl-4-[6-[4-(3-methoxy-3-oxopropyl)imidazol-1-yl]pyridazin-3-yl]benzoate Traditional Name: 3-amidino-4-[6-[4-(3-keto-3-methoxy-propyl)imidazol-1-yl]pyridazin-3-yl]benzoic acid methyl ester Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CN(C=N1)C2=NN=C(C=C2)C3=C(C=C(C=C3)C(=O)OC)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CN(C=N1)C2=NN=C(C=C2)C3=C(C=C(C=C3)C(=O)OC)C(=N)N

InChI

InChI=1S/C20H20N6O4/c1-29-18(27)8-4-13-10-26(11-23-13)17-7-6-16(24-25-17)14-5-3-12(20(28)30-2)9-15(14)19(21)22/h3,5-7,9-11H,4,8H2,1-2H3,(H3,21,22)