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

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-(4-ethylpiperazin-1-yl)-2-iodanyl-benzamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-(4-ethylpiperazin-1-yl)-2-iodo-benzamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-4-(4-ethyl-1-piperazinyl)-2-iodobenzamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-(4-ethylpiperazin-1-yl)-2-iodobenzamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-4-(4-ethylpiperazino)-2-iodo-benzamide Formula: C24H32IN7O MolecularWeight: 561.46165

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)C(=O)NCC3=CN=C(N=C3NCC(C)(C)C)C#N)I

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)C(=O)NCC3=CN=C(N=C3NCC(C)(C)C)C#N)I

InChI

InChI=1S/C24H32IN7O/c1-5-31-8-10-32(11-9-31)18-6-7-19(20(25)12-18)23(33)28-15-17-14-27-21(13-26)30-22(17)29-16-24(2,3)4/h6-7,12,14H,5,8-11,15-16H2,1-4H3,(H,28,33)(H,27,29,30)