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

Systemtic Name: tert-butyl 4-[6-[(4-chlorophenyl)amino]-2-cyano-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-(4-chloroanilino)-2-cyano-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(4-chloroanilino)-2-cyano-4-pyrimidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-(4-chloroanilino)-2-cyanopyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-chloroanilino)-2-cyano-pyrimidin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H23ClN6O2 MolecularWeight: 414.88862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC(=N2)C#N)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC(=N2)C#N)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN6O2/c1-20(2,3)29-19(28)27-10-8-26(9-11-27)18-12-16(24-17(13-22)25-18)23-15-6-4-14(21)5-7-15/h4-7,12H,8-11H2,1-3H3,(H,23,24,25)