4-bromanyl-N-[4-[[[4-(dimethylamino)-5-methyl-pyrimidin-2-yl]amino]methyl]cyclohexyl]benzamide

Systemtic Name: 4-bromanyl-N-[4-[[[4-(dimethylamino)-5-methyl-pyrimidin-2-yl]amino]methyl]cyclohexyl]benzamide Openeye Name: 4-bromo-N-[4-[[[4-(dimethylamino)-5-methyl-pyrimidin-2-yl]amino]methyl]cyclohexyl]benzamide CAS Name: 4-bromo-N-[4-[[[4-(dimethylamino)-5-methyl-2-pyrimidinyl]amino]methyl]cyclohexyl]benzamide IUPAC Name: 4-bromo-N-[4-[[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]methyl]cyclohexyl]benzamide Traditional Name: 4-bromo-N-[4-[[[4-(dimethylamino)-5-methyl-pyrimidin-2-yl]amino]methyl]cyclohexyl]benzamide Formula: C21H28BrN5O MolecularWeight: 446.38392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1N(C)C)NCC2CCC(CC2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CN=C(N=C1N(C)C)NCC2CCC(CC2)NC(=O)C3=CC=C(C=C3)Br

InChI

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