2,7-bis(azanyl)-3-(4-carbamimidoylphenyl)-4,7-bis(oxidanylidene)-2-pyridazin-3-yl-hept-5-ynoic acid

Systemtic Name: 2,7-bis(azanyl)-3-(4-carbamimidoylphenyl)-4,7-bis(oxidanylidene)-2-pyridazin-3-yl-hept-5-ynoic acid Openeye Name: 2,7-diamino-3-(4-carbamimidoylphenyl)-4,7-dioxo-2-pyridazin-3-yl-hept-5-ynoic acid CAS Name: 2,7-diamino-3-(4-carbamimidoylphenyl)-4,7-dioxo-2-(3-pyridazinyl)-5-heptynoic acid IUPAC Name: 2,7-diamino-3-(4-carbamimidoylphenyl)-4,7-dioxo-2-pyridazin-3-ylhept-5-ynoic acid Traditional Name: 3-(4-amidinophenyl)-2,7-diamino-4,7-diketo-2-pyridazin-3-yl-hept-5-ynoic acid Formula: C18H16N6O4 MolecularWeight: 380.35744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NN=C1)C(C(C2=CC=C(C=C2)C(=N)N)C(=O)C#CC(=O)N)(C(=O)O)N

Isomeric SMILES

C1=CC(=NN=C1)C(C(C2=CC=C(C=C2)C(=N)N)C(=O)C#CC(=O)N)(C(=O)O)N

InChI

InChI=1S/C18H16N6O4/c19-14(26)8-7-12(25)15(10-3-5-11(6-4-10)16(20)21)18(22,17(27)28)13-2-1-9-23-24-13/h1-6,9,15H,22H2,(H2,19,26)(H3,20,21)(H,27,28)