2-[2-[[6-[5-cyano-2-(dimethylamino)phenoxy]-8-methyl-7H-purin-2-yl]oxy]phenyl]guanidine

Systemtic Name: 2-[2-[[6-[5-cyano-2-(dimethylamino)phenoxy]-8-methyl-7H-purin-2-yl]oxy]phenyl]guanidine Openeye Name: 2-[2-[[6-[5-cyano-2-(dimethylamino)phenoxy]-8-methyl-7H-purin-2-yl]oxy]phenyl]guanidine CAS Name: 2-[2-[[6-[5-cyano-2-(dimethylamino)phenoxy]-8-methyl-7H-purin-2-yl]oxy]phenyl]guanidine IUPAC Name: 2-[2-[[6-[5-cyano-2-(dimethylamino)phenoxy]-8-methyl-7H-purin-2-yl]oxy]phenyl]guanidine Traditional Name: 2-[2-[[6-[5-cyano-2-(dimethylamino)phenoxy]-8-methyl-7H-purin-2-yl]oxy]phenyl]guanidine Formula: C22H21N9O2 MolecularWeight: 443.46124

Click to see the large picture

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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N9O2/c1-12-26-18-19(27-12)29-22(33-16-7-5-4-6-14(16)28-21(24)25)30-20(18)32-17-10-13(11-23)8-9-15(17)31(2)3/h4-10H,1-3H3,(H4,24,25,28)(H,26,27,29,30)