tert-butyl 4-[9-(4-chlorophenyl)-2-cyano-purin-6-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[9-(4-chlorophenyl)-2-cyano-purin-6-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[9-(4-chlorophenyl)-2-cyano-purin-6-yl]piperazine-1-carboxylate CAS Name: 4-[9-(4-chlorophenyl)-2-cyano-6-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[9-(4-chlorophenyl)-2-cyanopurin-6-yl]piperazine-1-carboxylate Traditional Name: 4-[9-(4-chlorophenyl)-2-cyano-purin-6-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H22ClN7O2 MolecularWeight: 439.89808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC3=C2N=CN3C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC3=C2N=CN3C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C21H22ClN7O2/c1-21(2,3)31-20(30)28-10-8-27(9-11-28)18-17-19(26-16(12-23)25-18)29(13-24-17)15-6-4-14(22)5-7-15/h4-7,13H,8-11H2,1-3H3