2-[[2-[2-[bis(azanyl)methylideneamino]phenoxy]-7-(2,3-dihydro-1H-indol-3-ylmethyl)-6-oxidanylidene-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-4-carbamimidoyl-benzoic acid

Systemtic Name: 2-[[2-[2-[bis(azanyl)methylideneamino]phenoxy]-7-(2,3-dihydro-1H-indol-3-ylmethyl)-6-oxidanylidene-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]-4-carbamimidoyl-benzoic acid Openeye Name: 4-carbamimidoyl-2-[[2-(2-guanidinophenoxy)-7-(indolin-3-ylmethyl)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzoic acid CAS Name: 4-carbamimidoyl-2-[[2-[2-(diaminomethylideneamino)phenoxy]-7-(2,3-dihydro-1H-indol-3-ylmethyl)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzoic acid IUPAC Name: 4-carbamimidoyl-2-[[2-[2-(diaminomethylideneamino)phenoxy]-7-(2,3-dihydro-1H-indol-3-ylmethyl)-6-oxo-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzoic acid Traditional Name: 4-amidino-2-[[2-(2-guanidinophenoxy)-7-(indolin-3-ylmethyl)-6-keto-5H-pyrimido[4,5-b][1,4]oxazin-4-yl]oxy]benzoic acid Formula: C30H27N9O6 MolecularWeight: 609.59208

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2N1)CC3C(=O)NC4=C(O3)N=C(N=C4OC5=C(C=CC(=C5)C(=N)N)C(=O)O)OC6=CC=CC=C6N=C(N)N

Isomeric SMILES

C1C(C2=CC=CC=C2N1)CC3C(=O)NC4=C(O3)N=C(N=C4OC5=C(C=CC(=C5)C(=N)N)C(=O)O)OC6=CC=CC=C6N=C(N)N

InChI

InChI=1S/C30H27N9O6/c31-24(32)14-9-10-17(28(41)42)21(11-14)43-26-23-27(39-30(38-26)45-20-8-4-3-7-19(20)36-29(33)34)44-22(25(40)37-23)12-15-13-35-18-6-2-1-5-16(15)18/h1-11,15,22,35H,12-13H2,(H3,31,32)(H,37,40)(H,41,42)(H4,33,34,36)