3-[2-[3,5-bis(azanyl)phenoxy]-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-5-ethoxy-benzenecarbonitrile

Systemtic Name: 3-[2-[3,5-bis(azanyl)phenoxy]-8-methyl-9-(phenylmethyl)purin-6-yl]oxy-5-ethoxy-benzenecarbonitrile Openeye Name: 3-[9-benzyl-2-(3,5-diaminophenoxy)-8-methyl-purin-6-yl]oxy-5-ethoxy-benzonitrile CAS Name: 3-[[2-(3,5-diaminophenoxy)-8-methyl-9-(phenylmethyl)-6-purinyl]oxy]-5-ethoxybenzonitrile IUPAC Name: 3-[9-benzyl-2-(3,5-diaminophenoxy)-8-methylpurin-6-yl]oxy-5-ethoxybenzonitrile Traditional Name: 3-[9-benzyl-2-(3,5-diaminophenoxy)-8-methyl-purin-6-yl]oxy-5-ethoxy-benzonitrile Formula: C28H25N7O3 MolecularWeight: 507.5432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2=NC(=NC3=C2N=C(N3CC4=CC=CC=C4)C)OC5=CC(=CC(=C5)N)N)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2=NC(=NC3=C2N=C(N3CC4=CC=CC=C4)C)OC5=CC(=CC(=C5)N)N)C#N

InChI

InChI=1S/C28H25N7O3/c1-3-36-22-9-19(15-29)10-23(14-22)37-27-25-26(35(17(2)32-25)16-18-7-5-4-6-8-18)33-28(34-27)38-24-12-20(30)11-21(31)13-24/h4-14H,3,16,30-31H2,1-2H3