tert-butyl 4-cyano-2-[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-9-(phenylmethyl)purin-6-yl]oxy-benzoate

Systemtic Name: tert-butyl 4-cyano-2-[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-9-(phenylmethyl)purin-6-yl]oxy-benzoate Openeye Name: tert-butyl 2-[9-benzyl-8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]purin-6-yl]oxy-4-cyano-benzoate CAS Name: 4-cyano-2-[[8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-9-(phenylmethyl)-6-purinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[9-benzyl-8-methyl-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]purin-6-yl]oxy-4-cyanobenzoate Traditional Name: 2-[9-benzyl-8-methyl-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]purin-6-yl]oxy-4-cyano-benzoic acid tert-butyl ester Formula: C35H33N7O4 MolecularWeight: 615.68102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=C(C=CC(=C4)C#N)C(=O)OC(C)(C)C)OC5=CC=CC(=C5)C6=NCCN6C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)N=C(N=C2OC4=C(C=CC(=C4)C#N)C(=O)OC(C)(C)C)OC5=CC=CC(=C5)C6=NCCN6C

InChI

InChI=1S/C35H33N7O4/c1-22-38-29-31(42(22)21-23-10-7-6-8-11-23)39-34(44-26-13-9-12-25(19-26)30-37-16-17-41(30)5)40-32(29)45-28-18-24(20-36)14-15-27(28)33(43)46-35(2,3)4/h6-15,18-19H,16-17,21H2,1-5H3