5-[[2-[2-[bis(azanyl)methylideneamino]phenoxy]-7-(1H-imidazol-5-ylmethyl)-6-oxidanylidene-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-2-carbamimidoyl-benzoic acid

Systemtic Name: 5-[[2-[2-[bis(azanyl)methylideneamino]phenoxy]-7-(1H-imidazol-5-ylmethyl)-6-oxidanylidene-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-2-carbamimidoyl-benzoic acid Openeye Name: 2-carbamimidoyl-5-[[2-(2-guanidinophenoxy)-7-(1H-imidazol-5-ylmethyl)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzoic acid CAS Name: 2-carbamimidoyl-5-[[2-[2-(diaminomethylideneamino)phenoxy]-7-(1H-imidazol-5-ylmethyl)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzoic acid IUPAC Name: 2-carbamimidoyl-5-[[2-[2-(diaminomethylideneamino)phenoxy]-7-(1H-imidazol-5-ylmethyl)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzoic acid Traditional Name: 2-amidino-5-[[2-(2-guanidinophenoxy)-7-(1H-imidazol-5-ylmethyl)-6-keto-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzoic acid Formula: C25H22N10O6 MolecularWeight: 558.50558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N=C(N)N)OC2=NC3=C(C(=N2)OC4=CC(=C(C=C4)C(=N)N)C(=O)O)NC(=O)C(O3)CC5=CN=CN5

Isomeric SMILES

C1=CC=C(C(=C1)N=C(N)N)OC2=NC3=C(C(=N2)OC4=CC(=C(C=C4)C(=N)N)C(=O)O)NC(=O)C(O3)CC5=CN=CN5

InChI

InChI=1S/C25H22N10O6/c26-19(27)13-6-5-12(8-14(13)23(37)38)39-21-18-22(40-17(20(36)33-18)7-11-9-30-10-31-11)35-25(34-21)41-16-4-2-1-3-15(16)32-24(28)29/h1-6,8-10,17H,7H2,(H3,26,27)(H,30,31)(H,33,36)(H,37,38)(H4,28,29,32)