5-[[2-[3-[bis(azanyl)methylideneamino]phenoxy]-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]-2-carbamimidoyl-benzoic acid

Systemtic Name: 5-[[2-[3-[bis(azanyl)methylideneamino]phenoxy]-6-oxidanylidene-7,8-dihydro-5H-pteridin-4-yl]oxy]-2-carbamimidoyl-benzoic acid Openeye Name: 2-carbamimidoyl-5-[[2-(3-guanidinophenoxy)-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid CAS Name: 2-carbamimidoyl-5-[[2-[3-(diaminomethylideneamino)phenoxy]-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid IUPAC Name: 2-carbamimidoyl-5-[[2-[3-(diaminomethylideneamino)phenoxy]-6-oxo-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid Traditional Name: 2-amidino-5-[[2-(3-guanidinophenoxy)-6-keto-7,8-dihydro-5H-pteridin-4-yl]oxy]benzoic acid Formula: C21H19N9O5 MolecularWeight: 477.43286

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(N1)N=C(N=C2OC3=CC(=C(C=C3)C(=N)N)C(=O)O)OC4=CC=CC(=C4)N=C(N)N

Isomeric SMILES

C1C(=O)NC2=C(N1)N=C(N=C2OC3=CC(=C(C=C3)C(=N)N)C(=O)O)OC4=CC=CC(=C4)N=C(N)N

InChI

InChI=1S/C21H19N9O5/c22-16(23)12-5-4-11(7-13(12)19(32)33)34-18-15-17(26-8-14(31)28-15)29-21(30-18)35-10-3-1-2-9(6-10)27-20(24)25/h1-7H,8H2,(H3,22,23)(H,28,31)(H,32,33)(H4,24,25,27)(H,26,29,30)