N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-piperazin-1-yl-benzamide

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-piperazin-1-yl-benzamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-piperazin-1-yl-benzamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-4-(1-piperazinyl)benzamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-piperazin-1-ylbenzamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-4-piperazino-benzamide Formula: C22H29N7O MolecularWeight: 407.51196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1CNC(=O)C2=CC=C(C=C2)N3CCNCC3)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1CNC(=O)C2=CC=C(C=C2)N3CCNCC3)C#N

InChI

InChI=1S/C22H29N7O/c1-22(2,3)15-27-20-17(13-25-19(12-23)28-20)14-26-21(30)16-4-6-18(7-5-16)29-10-8-24-9-11-29/h4-7,13,24H,8-11,14-15H2,1-3H3,(H,26,30)(H,25,27,28)