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

Systemtic Name: 4-methoxy-3-[8-methyl-2-(3-methylphenoxy)-9-(phenylmethyl)purin-6-yl]oxy-benzenecarboximidamide Openeye Name: 3-[9-benzyl-8-methyl-2-(3-methylphenoxy)purin-6-yl]oxy-4-methoxy-benzamidine CAS Name: 4-methoxy-3-[[8-methyl-2-(3-methylphenoxy)-9-(phenylmethyl)-6-purinyl]oxy]benzenecarboximidamide IUPAC Name: 3-[9-benzyl-8-methyl-2-(3-methylphenoxy)purin-6-yl]oxy-4-methoxybenzenecarboximidamide Traditional Name: 3-[9-benzyl-8-methyl-2-(3-methylphenoxy)purin-6-yl]oxy-4-methoxy-benzamidine Formula: C28H26N6O3 MolecularWeight: 494.54444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C(=N)N)OC)N=C(N3CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C(=N)N)OC)N=C(N3CC5=CC=CC=C5)C

InChI

InChI=1S/C28H26N6O3/c1-17-8-7-11-21(14-17)36-28-32-26-24(31-18(2)34(26)16-19-9-5-4-6-10-19)27(33-28)37-23-15-20(25(29)30)12-13-22(23)35-3/h4-15H,16H2,1-3H3,(H3,29,30)