N-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]cyclohexane-1-carboxamide

Systemtic Name: N-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]cyclohexane-1-carboxamide Openeye Name: N-[(4-bromo-2-fluoro-phenyl)methyl]-4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]cyclohexanecarboxamide CAS Name: N-[(4-bromo-2-fluorophenyl)methyl]-4-[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]amino]-1-cyclohexanecarboxamide IUPAC Name: N-[(4-bromo-2-fluorophenyl)methyl]-4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxamide Traditional Name: N-(4-bromo-2-fluoro-benzyl)-4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]cyclohexanecarboxamide Formula: C21H27BrFN5O MolecularWeight: 464.374383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2CCC(CC2)C(=O)NCC3=C(C=C(C=C3)Br)F)N(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2CCC(CC2)C(=O)NCC3=C(C=C(C=C3)Br)F)N(C)C

InChI

InChI=1S/C21H27BrFN5O/c1-13-10-19(28(2)3)27-21(25-13)26-17-8-5-14(6-9-17)20(29)24-12-15-4-7-16(22)11-18(15)23/h4,7,10-11,14,17H,5-6,8-9,12H2,1-3H3,(H,24,29)(H,25,26,27)