4-carbamimidoyl-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid

Systemtic Name: 4-carbamimidoyl-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid Openeye Name: 4-carbamimidoyl-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid CAS Name: 4-carbamimidoyl-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid IUPAC Name: 4-carbamimidoyl-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid Traditional Name: 4-amidino-2-[[6-keto-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid Formula: C24H22N8O5 MolecularWeight: 502.48208

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C1C2=CC(=CC=C2)OC3=NC4=C(C(=N3)OC5=C(C=CC(=C5)C(=N)N)C(=O)O)NC(=O)CN4

Isomeric SMILES

CN1CCN=C1C2=CC(=CC=C2)OC3=NC4=C(C(=N3)OC5=C(C=CC(=C5)C(=N)N)C(=O)O)NC(=O)CN4

InChI

InChI=1S/C24H22N8O5/c1-32-8-7-27-21(32)13-3-2-4-14(9-13)36-24-30-20-18(29-17(33)11-28-20)22(31-24)37-16-10-12(19(25)26)5-6-15(16)23(34)35/h2-6,9-10H,7-8,11H2,1H3,(H3,25,26)(H,29,33)(H,34,35)(H,28,30,31)