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

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2-iodanyl-4-(4-propylpiperazin-1-yl)benzamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2-iodo-4-(4-propylpiperazin-1-yl)benzamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-2-iodo-4-(4-propyl-1-piperazinyl)benzamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2-iodo-4-(4-propylpiperazin-1-yl)benzamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-2-iodo-4-(4-propylpiperazino)benzamide Formula: C25H34IN7O MolecularWeight: 575.48823

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=CC(=C(C=C2)C(=O)NCC3=CN=C(N=C3NCC(C)(C)C)C#N)I

Isomeric SMILES

CCCN1CCN(CC1)C2=CC(=C(C=C2)C(=O)NCC3=CN=C(N=C3NCC(C)(C)C)C#N)I

InChI

InChI=1S/C25H34IN7O/c1-5-8-32-9-11-33(12-10-32)19-6-7-20(21(26)13-19)24(34)29-16-18-15-28-22(14-27)31-23(18)30-17-25(2,3)4/h6-7,13,15H,5,8-12,16-17H2,1-4H3,(H,29,34)(H,28,30,31)