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

Systemtic Name: 4-(cyclohexylmethylamino)-2-(3-imidazol-1-ylpropylamino)-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-(cyclohexylmethylamino)-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxamide CAS Name: 4-(cyclohexylmethylamino)-2-[3-(1-imidazolyl)propylamino]-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-4-(cyclohexylmethylamino)-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxamide Traditional Name: N-benzyl-4-(cyclohexylmethylamino)-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxamide Formula: C25H33N7O MolecularWeight: 447.57582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=NC(=NC=C2C(=O)NCC3=CC=CC=C3)NCCCN4C=CN=C4

Isomeric SMILES

C1CCC(CC1)CNC2=NC(=NC=C2C(=O)NCC3=CC=CC=C3)NCCCN4C=CN=C4

InChI

InChI=1S/C25H33N7O/c33-24(29-17-21-10-5-2-6-11-21)22-18-30-25(27-12-7-14-32-15-13-26-19-32)31-23(22)28-16-20-8-3-1-4-9-20/h2,5-6,10-11,13,15,18-20H,1,3-4,7-9,12,14,16-17H2,(H,29,33)(H2,27,28,30,31)