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

Systemtic Name: 5-[[2-[2-[bis(azanyl)methylideneamino]phenoxy]-8-ethyl-7H-purin-6-yl]oxy]-2-cyano-benzamide Openeye Name: 2-cyano-5-[[8-ethyl-2-(2-guanidinophenoxy)-7H-purin-6-yl]oxy]benzamide CAS Name: 2-cyano-5-[[2-[2-(diaminomethylideneamino)phenoxy]-8-ethyl-7H-purin-6-yl]oxy]benzamide IUPAC Name: 2-cyano-5-[[2-[2-(diaminomethylideneamino)phenoxy]-8-ethyl-7H-purin-6-yl]oxy]benzamide Traditional Name: 2-cyano-5-[[8-ethyl-2-(2-guanidinophenoxy)-7H-purin-6-yl]oxy]benzamide Formula: C22H19N9O3 MolecularWeight: 457.44476

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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)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)C(=O)N

InChI

InChI=1S/C22H19N9O3/c1-2-16-28-17-19(29-16)30-22(34-15-6-4-3-5-14(15)27-21(25)26)31-20(17)33-12-8-7-11(10-23)13(9-12)18(24)32/h3-9H,2H2,1H3,(H2,24,32)(H4,25,26,27)(H,28,29,30,31)