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

Systemtic Name: 3-chloranyl-N-[[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]methyl]benzamide Openeye Name: 3-chloro-N-[[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]methyl]benzamide CAS Name: 3-chloro-N-[[4-[[6-(dimethylamino)-2-methyl-4-pyrimidinyl]amino]cyclohexyl]methyl]benzamide IUPAC Name: 3-chloro-N-[[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]methyl]benzamide Traditional Name: 3-chloro-N-[[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]methyl]benzamide Formula: C21H28ClN5O MolecularWeight: 401.93292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN5O/c1-14-24-19(12-20(25-14)27(2)3)26-18-9-7-15(8-10-18)13-23-21(28)16-5-4-6-17(22)11-16/h4-6,11-12,15,18H,7-10,13H2,1-3H3,(H,23,28)(H,24,25,26)