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

Systemtic Name: 3-bromanyl-N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]benzamide Openeye Name: 3-bromo-N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]benzamide CAS Name: 3-bromo-N-[4-[[6-(dimethylamino)-2-methyl-4-pyrimidinyl]amino]cyclohexyl]benzamide IUPAC Name: 3-bromo-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]benzamide Traditional Name: 3-bromo-N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]benzamide Formula: C20H26BrN5O MolecularWeight: 432.35734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrN5O/c1-13-22-18(12-19(23-13)26(2)3)24-16-7-9-17(10-8-16)25-20(27)14-5-4-6-15(21)11-14/h4-6,11-12,16-17H,7-10H2,1-3H3,(H,25,27)(H,22,23,24)