tert-butyl 4-(8-bromanylpurin-1-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(8-bromanylpurin-1-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(8-bromopurin-1-yl)piperazine-1-carboxylate CAS Name: 4-(8-bromo-1-purinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(8-bromopurin-1-yl)piperazine-1-carboxylate Traditional Name: 4-(8-bromopurin-1-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C14H19BrN6O2 MolecularWeight: 383.24366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)N2C=C3C(=NC(=N3)Br)N=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)N2C=C3C(=NC(=N3)Br)N=C2

InChI

InChI=1S/C14H19BrN6O2/c1-14(2,3)23-13(22)19-4-6-20(7-5-19)21-8-10-11(16-9-21)18-12(15)17-10/h8-9H,4-7H2,1-3H3