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

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-(dimethylaminomethyl)benzamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-(dimethylaminomethyl)benzamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-4-(dimethylaminomethyl)benzamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-(dimethylaminomethyl)benzamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-4-(dimethylaminomethyl)benzamide Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O/c1-21(2,3)14-25-19-17(11-23-18(10-22)26-19)12-24-20(28)16-8-6-15(7-9-16)13-27(4)5/h6-9,11H,12-14H2,1-5H3,(H,24,28)(H,23,25,26)