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

Systemtic Name: tert-butyl 4-[2-chloranyl-9-(cyclopropylmethyl)-6H-purin-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-chloro-9-(cyclopropylmethyl)-6H-purin-1-yl]piperazine-1-carboxylate CAS Name: 4-[2-chloro-9-(cyclopropylmethyl)-6H-purin-1-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-chloro-9-(cyclopropylmethyl)-6H-purin-1-yl]piperazine-1-carboxylate Traditional Name: 4-[2-chloro-9-(cyclopropylmethyl)-6H-purin-1-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H27ClN6O2 MolecularWeight: 394.89898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)N2CC3=C(N=C2Cl)N(C=N3)CC4CC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)N2CC3=C(N=C2Cl)N(C=N3)CC4CC4

InChI

InChI=1S/C18H27ClN6O2/c1-18(2,3)27-17(26)22-6-8-24(9-7-22)25-11-14-15(21-16(25)19)23(12-20-14)10-13-4-5-13/h12-13H,4-11H2,1-3H3