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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]cyclohexane-1-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]cyclohexanecarboxamide CAS Name: N-[(4-chlorophenyl)methyl]-4-[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]amino]-1-cyclohexanecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]cyclohexanecarboxamide Formula: C21H28ClN5O MolecularWeight: 401.93292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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