tert-butyl 4-[8-bromanyl-2-(dimethylamino)-9-methyl-6H-purin-1-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[8-bromanyl-2-(dimethylamino)-9-methyl-6H-purin-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[8-bromo-2-(dimethylamino)-9-methyl-6H-purin-1-yl]piperazine-1-carboxylate CAS Name: 4-[8-bromo-2-(dimethylamino)-9-methyl-6H-purin-1-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[8-bromo-2-(dimethylamino)-9-methyl-6H-purin-1-yl]piperazine-1-carboxylate Traditional Name: 4-[8-bromo-2-(dimethylamino)-9-methyl-6H-purin-1-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H28BrN7O2 MolecularWeight: 442.35392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)N2CC3=C(N=C2N(C)C)N(C(=N3)Br)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)N2CC3=C(N=C2N(C)C)N(C(=N3)Br)C

InChI

InChI=1S/C17H28BrN7O2/c1-17(2,3)27-16(26)23-7-9-24(10-8-23)25-11-12-13(20-15(25)21(4)5)22(6)14(18)19-12/h7-11H2,1-6H3