2-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]ethyl-ethoxy-phosphinic acid

Systemtic Name: 2-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]ethyl-ethoxy-phosphinic acid Openeye Name: 2-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]ethyl-ethoxy-phosphinic acid CAS Name: 2-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-4-imidazolyl]ethyl-ethoxyphosphinic acid IUPAC Name: 2-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]ethyl-ethoxyphosphinic acid Traditional Name: 2-[1-[6-(4-amidinophenyl)pyridazin-3-yl]imidazol-4-yl]ethyl-ethoxy-phosphinic acid Formula: C18H21N6O3P MolecularWeight: 400.371501

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC1=CN(C=N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)O

Isomeric SMILES

CCOP(=O)(CCC1=CN(C=N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)O

InChI

InChI=1S/C18H21N6O3P/c1-2-27-28(25,26)10-9-15-11-24(12-21-15)17-8-7-16(22-23-17)13-3-5-14(6-4-13)18(19)20/h3-8,11-12H,2,9-10H2,1H3,(H3,19,20)(H,25,26)