tert-butyl N-[[2-cyano-9-[4-(dimethylamino)piperidin-1-yl]carbonyl-purin-6-yl]-cyclopentyl-amino]carbamate

Systemtic Name: tert-butyl N-[[2-cyano-9-[4-(dimethylamino)piperidin-1-yl]carbonyl-purin-6-yl]-cyclopentyl-amino]carbamate Openeye Name: tert-butyl N-[[2-cyano-9-[4-(dimethylamino)piperidine-1-carbonyl]purin-6-yl]-cyclopentyl-amino]carbamate CAS Name: N-[[2-cyano-9-[[4-(dimethylamino)-1-piperidinyl]-oxomethyl]-6-purinyl]-cyclopentylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-cyano-9-[4-(dimethylamino)piperidine-1-carbonyl]purin-6-yl]-cyclopentylamino]carbamate Traditional Name: N-[[2-cyano-9-[4-(dimethylamino)piperidine-1-carbonyl]purin-6-yl]-cyclopentyl-amino]carbamic acid tert-butyl ester Formula: C24H35N9O3 MolecularWeight: 497.5932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(C1CCCC1)C2=NC(=NC3=C2N=CN3C(=O)N4CCC(CC4)N(C)C)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NN(C1CCCC1)C2=NC(=NC3=C2N=CN3C(=O)N4CCC(CC4)N(C)C)C#N

InChI

InChI=1S/C24H35N9O3/c1-24(2,3)36-22(34)29-33(17-8-6-7-9-17)21-19-20(27-18(14-25)28-21)32(15-26-19)23(35)31-12-10-16(11-13-31)30(4)5/h15-17H,6-13H2,1-5H3,(H,29,34)