4-bromanyl-N-[[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]methyl]benzamide

Systemtic Name: 4-bromanyl-N-[[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]methyl]benzamide Openeye Name: 4-bromo-N-[[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]methyl]benzamide CAS Name: 4-bromo-N-[[4-[[6-(dimethylamino)-2-methyl-4-pyrimidinyl]amino]cyclohexyl]methyl]benzamide IUPAC Name: 4-bromo-N-[[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]methyl]benzamide Traditional Name: 4-bromo-N-[[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]methyl]benzamide Formula: C21H28BrN5O MolecularWeight: 446.38392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N(C)C)NC2CCC(CC2)CNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NC(=CC(=N1)N(C)C)NC2CCC(CC2)CNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H28BrN5O/c1-14-24-19(12-20(25-14)27(2)3)26-18-10-4-15(5-11-18)13-23-21(28)16-6-8-17(22)9-7-16/h6-9,12,15,18H,4-5,10-11,13H2,1-3H3,(H,23,28)(H,24,25,26)