2-[[2-[2-[bis(azanyl)methylideneamino]phenoxy]-8-methyl-7H-purin-6-yl]oxy]-4-cyano-benzamide

Systemtic Name: 2-[[2-[2-[bis(azanyl)methylideneamino]phenoxy]-8-methyl-7H-purin-6-yl]oxy]-4-cyano-benzamide Openeye Name: 4-cyano-2-[[2-(2-guanidinophenoxy)-8-methyl-7H-purin-6-yl]oxy]benzamide CAS Name: 4-cyano-2-[[2-[2-(diaminomethylideneamino)phenoxy]-8-methyl-7H-purin-6-yl]oxy]benzamide IUPAC Name: 4-cyano-2-[[2-[2-(diaminomethylideneamino)phenoxy]-8-methyl-7H-purin-6-yl]oxy]benzamide Traditional Name: 4-cyano-2-[[2-(2-guanidinophenoxy)-8-methyl-7H-purin-6-yl]oxy]benzamide Formula: C21H17N9O3 MolecularWeight: 443.41818

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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=C(C=CC(=C4)C#N)C(=O)N

Isomeric SMILES

CC1=NC2=C(N1)C(=NC(=N2)OC3=CC=CC=C3N=C(N)N)OC4=C(C=CC(=C4)C#N)C(=O)N

InChI

InChI=1S/C21H17N9O3/c1-10-26-16-18(27-10)29-21(33-14-5-3-2-4-13(14)28-20(24)25)30-19(16)32-15-8-11(9-22)6-7-12(15)17(23)31/h2-8H,1H3,(H2,23,31)(H4,24,25,28)(H,26,27,29,30)