1-azanyl-4-(dimethylamino)-N-[(3-iodanylphenyl)methyl]-2-(4-methylpyrimidin-2-yl)cyclohexane-1-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)C2CC(CCC2(C(=O)NCC3=CC(=CC=C3)I)N)N(C)C

Isomeric SMILES

CC1=NC(=NC=C1)C2CC(CCC2(C(=O)NCC3=CC(=CC=C3)I)N)N(C)C

InChI

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