tert-butyl 4-[3-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methylcarbamoyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methylcarbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methylcarbamoyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[3-[[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methylamino]-oxomethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methylcarbamoyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methylcarbamoyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H37N7O3 MolecularWeight: 507.62778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1CNC(=O)C2=CC(=CC=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1CNC(=O)C2=CC(=CC=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C27H37N7O3/c1-26(2,3)18-31-23-20(16-29-22(15-28)32-23)17-30-24(35)19-8-7-9-21(14-19)33-10-12-34(13-11-33)25(36)37-27(4,5)6/h7-9,14,16H,10-13,17-18H2,1-6H3,(H,30,35)(H,29,31,32)