4-carbamimidoyl-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxidanylidene-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzoic acid

Systemtic Name: 4-carbamimidoyl-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxidanylidene-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzoic acid Openeye Name: 4-carbamimidoyl-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzoic acid CAS Name: 4-carbamimidoyl-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzoic acid IUPAC Name: 4-carbamimidoyl-2-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzoic acid Traditional Name: 4-amidino-2-[[6-keto-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzoic acid Formula: C24H21N7O6 MolecularWeight: 503.46684

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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)CO4

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)CO4

InChI

InChI=1S/C24H21N7O6/c1-31-8-7-27-20(31)13-3-2-4-14(9-13)36-24-29-21-18(28-17(32)11-35-21)22(30-24)37-16-10-12(19(25)26)5-6-15(16)23(33)34/h2-6,9-10H,7-8,11H2,1H3,(H3,25,26)(H,28,32)(H,33,34)