tert-butyl 4-(2-chloranyl-9-propan-2-yl-6H-purin-1-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-chloranyl-9-propan-2-yl-6H-purin-1-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-chloro-9-isopropyl-6H-purin-1-yl)piperazine-1-carboxylate CAS Name: 4-(2-chloro-9-propan-2-yl-6H-purin-1-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-chloro-9-propan-2-yl-6H-purin-1-yl)piperazine-1-carboxylate Traditional Name: 4-(2-chloro-9-isopropyl-6H-purin-1-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C17H27ClN6O2 MolecularWeight: 382.88828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N(C2)N3CCN(CC3)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N(C2)N3CCN(CC3)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C17H27ClN6O2/c1-12(2)23-11-19-13-10-24(15(18)20-14(13)23)22-8-6-21(7-9-22)16(25)26-17(3,4)5/h11-12H,6-10H2,1-5H3