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

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-4-[(4-methylpiperazino)methyl]benzamide Formula: C24H33N7O MolecularWeight: 435.56512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1CNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1CNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)C#N

InChI

InChI=1S/C24H33N7O/c1-24(2,3)17-28-22-20(14-26-21(13-25)29-22)15-27-23(32)19-7-5-18(6-8-19)16-31-11-9-30(4)10-12-31/h5-8,14H,9-12,15-17H2,1-4H3,(H,27,32)(H,26,28,29)