tert-butyl 4-[4-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[6-(cyclobutylamino)-7H-purin-2-yl]amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H32N8O2 MolecularWeight: 464.56328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)NC5CCC5)NC=N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)NC5CCC5)NC=N4

InChI

InChI=1S/C24H32N8O2/c1-24(2,3)34-23(33)32-13-11-31(12-14-32)18-9-7-17(8-10-18)28-22-29-20-19(25-15-26-20)21(30-22)27-16-5-4-6-16/h7-10,15-16H,4-6,11-14H2,1-3H3,(H3,25,26,27,28,29,30)