2-[3-[6-(5-cyano-2-phenoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-5-methyl-phenyl]guanidine

Systemtic Name: 2-[3-[6-(5-cyano-2-phenoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-2-yl]oxy-5-methyl-phenyl]guanidine Openeye Name: 2-[3-[9-benzyl-6-(5-cyano-2-phenoxy-phenoxy)-8-methyl-purin-2-yl]oxy-5-methyl-phenyl]guanidine CAS Name: 2-[3-[[6-(5-cyano-2-phenoxyphenoxy)-8-methyl-9-(phenylmethyl)-2-purinyl]oxy]-5-methylphenyl]guanidine IUPAC Name: 2-[3-[9-benzyl-6-(5-cyano-2-phenoxyphenoxy)-8-methylpurin-2-yl]oxy-5-methylphenyl]guanidine Traditional Name: 2-[3-[9-benzyl-6-(5-cyano-2-phenoxy-phenoxy)-8-methyl-purin-2-yl]oxy-5-methyl-phenyl]guanidine Formula: C34H28N8O3 MolecularWeight: 596.63792

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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)OC5=CC=CC=C5)N=C(N3CC6=CC=CC=C6)C)N=C(N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC3=C(C(=N2)OC4=C(C=CC(=C4)C#N)OC5=CC=CC=C5)N=C(N3CC6=CC=CC=C6)C)N=C(N)N

InChI

InChI=1S/C34H28N8O3/c1-21-15-25(39-33(36)37)18-27(16-21)44-34-40-31-30(38-22(2)42(31)20-23-9-5-3-6-10-23)32(41-34)45-29-17-24(19-35)13-14-28(29)43-26-11-7-4-8-12-26/h3-18H,20H2,1-2H3,(H4,36,37,39)