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

Systemtic Name: tert-butyl 4-[2-chloranyl-9-(2-methoxyethyl)-6H-purin-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-chloro-9-(2-methoxyethyl)-6H-purin-1-yl]piperazine-1-carboxylate CAS Name: 4-[2-chloro-9-(2-methoxyethyl)-6H-purin-1-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-chloro-9-(2-methoxyethyl)-6H-purin-1-yl]piperazine-1-carboxylate Traditional Name: 4-[2-chloro-9-(2-methoxyethyl)-6H-purin-1-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H27ClN6O3 MolecularWeight: 398.88768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27ClN6O3/c1-17(2,3)27-16(25)21-5-7-23(8-6-21)24-11-13-14(20-15(24)18)22(12-19-13)9-10-26-4/h12H,5-11H2,1-4H3