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

Systemtic Name: tert-butyl N-[[2-cyano-9-(2-dimethylaminoethyl)purin-6-yl]-cyclopentyl-amino]carbamate Openeye Name: tert-butyl N-[[2-cyano-9-(2-dimethylaminoethyl)purin-6-yl]-cyclopentyl-amino]carbamate CAS Name: N-[[2-cyano-9-(2-dimethylaminoethyl)-6-purinyl]-cyclopentylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-cyano-9-(2-dimethylaminoethyl)purin-6-yl]-cyclopentylamino]carbamate Traditional Name: N-[[2-cyano-9-(2-dimethylaminoethyl)purin-6-yl]-cyclopentyl-amino]carbamic acid tert-butyl ester Formula: C20H30N8O2 MolecularWeight: 414.5046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(C1CCCC1)C2=NC(=NC3=C2N=CN3CCN(C)C)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NN(C1CCCC1)C2=NC(=NC3=C2N=CN3CCN(C)C)C#N

InChI

InChI=1S/C20H30N8O2/c1-20(2,3)30-19(29)25-28(14-8-6-7-9-14)18-16-17(23-15(12-21)24-18)27(13-22-16)11-10-26(4)5/h13-14H,6-11H2,1-5H3,(H,25,29)