3-bromanyl-N-[4-[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]amino]cyclohexyl]benzamide

Systemtic Name: 3-bromanyl-N-[4-[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]amino]cyclohexyl]benzamide Openeye Name: 3-bromo-N-[4-[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]amino]cyclohexyl]benzamide CAS Name: 3-bromo-N-[4-[[4-(dimethylamino)-5,6-dimethyl-2-pyrimidinyl]amino]cyclohexyl]benzamide IUPAC Name: 3-bromo-N-[4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]benzamide Traditional Name: 3-bromo-N-[4-[[4-(dimethylamino)-5,6-dimethyl-pyrimidin-2-yl]amino]cyclohexyl]benzamide Formula: C21H28BrN5O MolecularWeight: 446.38392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N(C)C)NC2CCC(CC2)NC(=O)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=C(N=C(N=C1N(C)C)NC2CCC(CC2)NC(=O)C3=CC(=CC=C3)Br)C

InChI

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