tert-butyl N-[6-[[2-(2-hydroxyethylamino)-9-propan-2-yl-purin-6-yl]amino]hexyl]carbamate

Systemtic Name: tert-butyl N-[6-[[2-(2-hydroxyethylamino)-9-propan-2-yl-purin-6-yl]amino]hexyl]carbamate Openeye Name: tert-butyl N-[6-[[2-(2-hydroxyethylamino)-9-isopropyl-purin-6-yl]amino]hexyl]carbamate CAS Name: N-[6-[[2-(2-hydroxyethylamino)-9-propan-2-yl-6-purinyl]amino]hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[[2-(2-hydroxyethylamino)-9-propan-2-ylpurin-6-yl]amino]hexyl]carbamate Traditional Name: N-[6-[[2-(2-hydroxyethylamino)-9-isopropyl-purin-6-yl]amino]hexyl]carbamic acid tert-butyl ester Formula: C21H37N7O3 MolecularWeight: 435.56358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCCCCCNC(=O)OC(C)(C)C)NCCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCCCCCNC(=O)OC(C)(C)C)NCCO

InChI

InChI=1S/C21H37N7O3/c1-15(2)28-14-25-16-17(26-19(23-12-13-29)27-18(16)28)22-10-8-6-7-9-11-24-20(30)31-21(3,4)5/h14-15,29H,6-13H2,1-5H3,(H,24,30)(H2,22,23,26,27)