4-[2-[3-(dimethylamino)phenoxy]-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-2-methyl-benzenecarboximidamide

Systemtic Name: 4-[2-[3-(dimethylamino)phenoxy]-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-2-methyl-benzenecarboximidamide Openeye Name: 4-[9-benzyl-2-[3-(dimethylamino)phenoxy]-8-methyl-purin-6-yl]oxy-2-methyl-benzamidine CAS Name: 4-[[2-[3-(dimethylamino)phenoxy]-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-2-methylbenzenecarboximidamide IUPAC Name: 4-[9-benzyl-2-[3-(dimethylamino)phenoxy]-8-methylpurin-6-yl]oxy-2-methylbenzenecarboximidamide Traditional Name: 4-[9-benzyl-2-[3-(dimethylamino)phenoxy]-8-methyl-purin-6-yl]oxy-2-methyl-benzamidine Formula: C29H29N7O2 MolecularWeight: 507.58626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC(=NC3=C2N=C(N3CC4=CC=CC=C4)C)OC5=CC=CC(=C5)N(C)C)C(=N)N

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC(=NC3=C2N=C(N3CC4=CC=CC=C4)C)OC5=CC=CC(=C5)N(C)C)C(=N)N

InChI

InChI=1S/C29H29N7O2/c1-18-15-23(13-14-24(18)26(30)31)37-28-25-27(36(19(2)32-25)17-20-9-6-5-7-10-20)33-29(34-28)38-22-12-8-11-21(16-22)35(3)4/h5-16H,17H2,1-4H3,(H3,30,31)