tert-butyl 4-carbamimidoyl-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-carbamimidoyl-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-carbamimidoyl-benzoate CAS Name: 4-carbamimidoyl-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-carbamimidoylbenzoate Traditional Name: 4-amidino-2-[9-benzyl-8-methyl-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]purin-6-yl]oxy-benzoic acid tert-butyl ester Formula: C35H36N8O4 MolecularWeight: 632.71154

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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)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)N)C(=O)OC(C)(C)C)OC5=CC=CC(=C5)C6=NCCN6C

InChI

InChI=1S/C35H36N8O4/c1-21-39-28-31(43(21)20-22-10-7-6-8-11-22)40-34(45-25-13-9-12-24(18-25)30-38-16-17-42(30)5)41-32(28)46-27-19-23(29(36)37)14-15-26(27)33(44)47-35(2,3)4/h6-15,18-19H,16-17,20H2,1-5H3,(H3,36,37)