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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)NC3=CC(=NC(=N3)C)N(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)NC3=CC(=NC(=N3)C)N(C)C)Br

InChI

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