tert-butyl N-[[2-cyano-9-(4-methylpiperazin-1-yl)carbonyl-purin-6-yl]-cyclohexyl-amino]carbamate

Systemtic Name: tert-butyl N-[[2-cyano-9-(4-methylpiperazin-1-yl)carbonyl-purin-6-yl]-cyclohexyl-amino]carbamate Openeye Name: tert-butyl N-[[2-cyano-9-(4-methylpiperazine-1-carbonyl)purin-6-yl]-cyclohexyl-amino]carbamate CAS Name: N-[[2-cyano-9-[(4-methyl-1-piperazinyl)-oxomethyl]-6-purinyl]-cyclohexylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[2-cyano-9-(4-methylpiperazine-1-carbonyl)purin-6-yl]-cyclohexylamino]carbamate Traditional Name: N-[[2-cyano-9-(4-methylpiperazine-1-carbonyl)purin-6-yl]-cyclohexyl-amino]carbamic acid tert-butyl ester Formula: C23H33N9O3 MolecularWeight: 483.56662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(C1CCCCC1)C2=NC(=NC3=C2N=CN3C(=O)N4CCN(CC4)C)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NN(C1CCCCC1)C2=NC(=NC3=C2N=CN3C(=O)N4CCN(CC4)C)C#N

InChI

InChI=1S/C23H33N9O3/c1-23(2,3)35-21(33)28-32(16-8-6-5-7-9-16)20-18-19(26-17(14-24)27-20)31(15-25-18)22(34)30-12-10-29(4)11-13-30/h15-16H,5-13H2,1-4H3,(H,28,33)