5-[[2-[2-[bis(azanyl)methylideneamino]phenoxy]-8-ethyl-7H-purin-6-yl]oxy]-2-carbamimidoyl-benzamide

Systemtic Name: 5-[[2-[2-[bis(azanyl)methylideneamino]phenoxy]-8-ethyl-7H-purin-6-yl]oxy]-2-carbamimidoyl-benzamide Openeye Name: 2-carbamimidoyl-5-[[8-ethyl-2-(2-guanidinophenoxy)-7H-purin-6-yl]oxy]benzamide CAS Name: 2-carbamimidoyl-5-[[2-[2-(diaminomethylideneamino)phenoxy]-8-ethyl-7H-purin-6-yl]oxy]benzamide IUPAC Name: 2-carbamimidoyl-5-[[2-[2-(diaminomethylideneamino)phenoxy]-8-ethyl-7H-purin-6-yl]oxy]benzamide Traditional Name: 2-amidino-5-[[8-ethyl-2-(2-guanidinophenoxy)-7H-purin-6-yl]oxy]benzamide Formula: C22H22N10O3 MolecularWeight: 474.47528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=NC(=N2)OC3=CC=CC=C3N=C(N)N)OC4=CC(=C(C=C4)C(=N)N)C(=O)N

Isomeric SMILES

CCC1=NC2=C(N1)C(=NC(=N2)OC3=CC=CC=C3N=C(N)N)OC4=CC(=C(C=C4)C(=N)N)C(=O)N

InChI

InChI=1S/C22H22N10O3/c1-2-15-29-16-19(30-15)31-22(35-14-6-4-3-5-13(14)28-21(26)27)32-20(16)34-10-7-8-11(17(23)24)12(9-10)18(25)33/h3-9H,2H2,1H3,(H3,23,24)(H2,25,33)(H4,26,27,28)(H,29,30,31,32)