1-[3-[6-(3-cyano-5-phenoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-2-yl]oxyphenyl]urea

Systemtic Name: 1-[3-[6-(3-cyano-5-phenoxy-phenoxy)-8-methyl-9-(phenylmethyl)purin-2-yl]oxyphenyl]urea Openeye Name: [3-[9-benzyl-6-(3-cyano-5-phenoxy-phenoxy)-8-methyl-purin-2-yl]oxyphenyl]urea CAS Name: [3-[[6-(3-cyano-5-phenoxyphenoxy)-8-methyl-9-(phenylmethyl)-2-purinyl]oxy]phenyl]urea IUPAC Name: [3-[9-benzyl-6-(3-cyano-5-phenoxyphenoxy)-8-methylpurin-2-yl]oxyphenyl]urea Traditional Name: [3-[9-benzyl-6-(3-cyano-5-phenoxy-phenoxy)-8-methyl-purin-2-yl]oxyphenyl]urea Formula: C33H25N7O4 MolecularWeight: 583.5961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC(=CC(=C4)OC5=CC=CC=C5)C#N)OC6=CC=CC(=C6)NC(=O)N

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=CC(=CC(=C4)OC5=CC=CC=C5)C#N)OC6=CC=CC(=C6)NC(=O)N

InChI

InChI=1S/C33H25N7O4/c1-21-36-29-30(40(21)20-22-9-4-2-5-10-22)38-33(44-26-14-8-11-24(17-26)37-32(35)41)39-31(29)43-28-16-23(19-34)15-27(18-28)42-25-12-6-3-7-13-25/h2-18H,20H2,1H3,(H3,35,37,41)