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

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2-iodanyl-4-(4-methylpiperazin-1-yl)benzamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2-iodo-4-(4-methylpiperazin-1-yl)benzamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-2-iodo-4-(4-methyl-1-piperazinyl)benzamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2-iodo-4-(4-methylpiperazin-1-yl)benzamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-2-iodo-4-(4-methylpiperazino)benzamide Formula: C23H30IN7O MolecularWeight: 547.43507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30IN7O/c1-23(2,3)15-28-21-16(13-26-20(12-25)29-21)14-27-22(32)18-6-5-17(11-19(18)24)31-9-7-30(4)8-10-31/h5-6,11,13H,7-10,14-15H2,1-4H3,(H,27,32)(H,26,28,29)