tert-butyl 4-[6-(4-chlorophenyl)-5-cyano-2-pyridin-4-yl-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-(4-chlorophenyl)-5-cyano-2-pyridin-4-yl-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-(4-chlorophenyl)-5-cyano-2-(4-pyridyl)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(4-chlorophenyl)-5-cyano-2-pyridin-4-yl-4-pyrimidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-(4-chlorophenyl)-5-cyano-2-pyridin-4-ylpyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-chlorophenyl)-5-cyano-2-(4-pyridyl)pyrimidin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H25ClN6O2 MolecularWeight: 476.958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C25H25ClN6O2/c1-25(2,3)34-24(33)32-14-12-31(13-15-32)23-20(16-27)21(17-4-6-19(26)7-5-17)29-22(30-23)18-8-10-28-11-9-18/h4-11H,12-15H2,1-3H3