4-(cyclohexylmethylamino)-2-(3-imidazol-1-ylpropylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide

Systemtic Name: 4-(cyclohexylmethylamino)-2-(3-imidazol-1-ylpropylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide Openeye Name: 4-(cyclohexylmethylamino)-2-(3-imidazol-1-ylpropylamino)-N-isobutyl-pyrimidine-5-carboxamide CAS Name: 4-(cyclohexylmethylamino)-2-[3-(1-imidazolyl)propylamino]-N-(2-methylpropyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(cyclohexylmethylamino)-2-(3-imidazol-1-ylpropylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide Traditional Name: 4-(cyclohexylmethylamino)-2-(3-imidazol-1-ylpropylamino)-N-isobutyl-pyrimidine-5-carboxamide Formula: C22H35N7O MolecularWeight: 413.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN=C(N=C1NCC2CCCCC2)NCCCN3C=CN=C3

Isomeric SMILES

CC(C)CNC(=O)C1=CN=C(N=C1NCC2CCCCC2)NCCCN3C=CN=C3

InChI

InChI=1S/C22H35N7O/c1-17(2)13-26-21(30)19-15-27-22(24-9-6-11-29-12-10-23-16-29)28-20(19)25-14-18-7-4-3-5-8-18/h10,12,15-18H,3-9,11,13-14H2,1-2H3,(H,26,30)(H2,24,25,27,28)