4-[[4-(dimethylamino)-5-methyl-pyrimidin-2-yl]amino]-N-[(3-iodanylphenyl)methyl]cyclohexane-1-carboxamide

Systemtic Name: 4-[[4-(dimethylamino)-5-methyl-pyrimidin-2-yl]amino]-N-[(3-iodanylphenyl)methyl]cyclohexane-1-carboxamide Openeye Name: 4-[[4-(dimethylamino)-5-methyl-pyrimidin-2-yl]amino]-N-[(3-iodophenyl)methyl]cyclohexanecarboxamide CAS Name: 4-[[4-(dimethylamino)-5-methyl-2-pyrimidinyl]amino]-N-[(3-iodophenyl)methyl]-1-cyclohexanecarboxamide IUPAC Name: 4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-N-[(3-iodophenyl)methyl]cyclohexane-1-carboxamide Traditional Name: 4-[[4-(dimethylamino)-5-methyl-pyrimidin-2-yl]amino]-N-(3-iodobenzyl)cyclohexanecarboxamide Formula: C21H28IN5O MolecularWeight: 493.38439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1N(C)C)NC2CCC(CC2)C(=O)NCC3=CC(=CC=C3)I

Isomeric SMILES

CC1=CN=C(N=C1N(C)C)NC2CCC(CC2)C(=O)NCC3=CC(=CC=C3)I

InChI

InChI=1S/C21H28IN5O/c1-14-12-24-21(26-19(14)27(2)3)25-18-9-7-16(8-10-18)20(28)23-13-15-5-4-6-17(22)11-15/h4-6,11-12,16,18H,7-10,13H2,1-3H3,(H,23,28)(H,24,25,26)