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

Systemtic Name: 4-bromanyl-N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]cyclohexyl]-3-methyl-benzamide Openeye Name: 4-bromo-N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]cyclohexyl]-3-methyl-benzamide CAS Name: 4-bromo-N-[4-[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]amino]cyclohexyl]-3-methylbenzamide IUPAC Name: 4-bromo-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methylbenzamide Traditional Name: 4-bromo-N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]cyclohexyl]-3-methyl-benzamide Formula: C21H28BrN5O MolecularWeight: 446.38392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrN5O/c1-13-11-15(5-10-18(13)22)20(28)24-16-6-8-17(9-7-16)25-21-23-14(2)12-19(26-21)27(3)4/h5,10-12,16-17H,6-9H2,1-4H3,(H,24,28)(H,23,25,26)