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

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2-iodanyl-4-(1-propylpiperidin-4-yl)benzamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2-iodo-4-(1-propyl-4-piperidyl)benzamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-2-iodo-4-(1-propyl-4-piperidinyl)benzamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2-iodo-4-(1-propylpiperidin-4-yl)benzamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-2-iodo-4-(1-propyl-4-piperidyl)benzamide Formula: C26H35IN6O MolecularWeight: 574.50017

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)C2=CC(=C(C=C2)C(=O)NCC3=CN=C(N=C3NCC(C)(C)C)C#N)I

Isomeric SMILES

CCCN1CCC(CC1)C2=CC(=C(C=C2)C(=O)NCC3=CN=C(N=C3NCC(C)(C)C)C#N)I

InChI

InChI=1S/C26H35IN6O/c1-5-10-33-11-8-18(9-12-33)19-6-7-21(22(27)13-19)25(34)30-16-20-15-29-23(14-28)32-24(20)31-17-26(2,3)4/h6-7,13,15,18H,5,8-12,16-17H2,1-4H3,(H,30,34)(H,29,31,32)