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

Systemtic Name: 5-[[2-[2-[bis(azanyl)methylideneamino]phenoxy]-8-methyl-7H-purin-6-yl]oxy]-2-carbamimidoyl-benzamide Openeye Name: 2-carbamimidoyl-5-[[2-(2-guanidinophenoxy)-8-methyl-7H-purin-6-yl]oxy]benzamide CAS Name: 2-carbamimidoyl-5-[[2-[2-(diaminomethylideneamino)phenoxy]-8-methyl-7H-purin-6-yl]oxy]benzamide IUPAC Name: 2-carbamimidoyl-5-[[2-[2-(diaminomethylideneamino)phenoxy]-8-methyl-7H-purin-6-yl]oxy]benzamide Traditional Name: 2-amidino-5-[[2-(2-guanidinophenoxy)-8-methyl-7H-purin-6-yl]oxy]benzamide Formula: C21H20N10O3 MolecularWeight: 460.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C21H20N10O3/c1-9-27-15-18(28-9)30-21(34-14-5-3-2-4-13(14)29-20(25)26)31-19(15)33-10-6-7-11(16(22)23)12(8-10)17(24)32/h2-8H,1H3,(H3,22,23)(H2,24,32)(H4,25,26,29)(H,27,28,30,31)