4-[4-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methylcarbamoyl]phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methylcarbamoyl]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[4-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methylcarbamoyl]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[4-[[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methylamino]-oxomethyl]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methylcarbamoyl]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methylcarbamoyl]phenyl]piperazine-1-carboxylic acid Formula: C23H29N7O3 MolecularWeight: 451.52146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N7O3/c1-23(2,3)15-27-20-17(13-25-19(12-24)28-20)14-26-21(31)16-4-6-18(7-5-16)29-8-10-30(11-9-29)22(32)33/h4-7,13H,8-11,14-15H2,1-3H3,(H,26,31)(H,32,33)(H,25,27,28)