tert-butyl N-[[2-cyano-9-[3-(dimethylamino)propyl]purin-6-yl]-cyclopentyl-amino]carbamate

Systemtic Name: tert-butyl N-[[2-cyano-9-[3-(dimethylamino)propyl]purin-6-yl]-cyclopentyl-amino]carbamate Openeye Name: tert-butyl N-[[2-cyano-9-[3-(dimethylamino)propyl]purin-6-yl]-cyclopentyl-amino]carbamate CAS Name: N-[[2-cyano-9-[3-(dimethylamino)propyl]-6-purinyl]-cyclopentylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-cyano-9-[3-(dimethylamino)propyl]purin-6-yl]-cyclopentylamino]carbamate Traditional Name: N-[[2-cyano-9-[3-(dimethylamino)propyl]purin-6-yl]-cyclopentyl-amino]carbamic acid tert-butyl ester Formula: C21H32N8O2 MolecularWeight: 428.53118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(C1CCCC1)C2=NC(=NC3=C2N=CN3CCCN(C)C)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NN(C1CCCC1)C2=NC(=NC3=C2N=CN3CCCN(C)C)C#N

InChI

InChI=1S/C21H32N8O2/c1-21(2,3)31-20(30)26-29(15-9-6-7-10-15)19-17-18(24-16(13-22)25-19)28(14-23-17)12-8-11-27(4)5/h14-15H,6-12H2,1-5H3,(H,26,30)