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

Systemtic Name: 4-(cyclohexylmethylamino)-2-(3-imidazol-1-ylpropylamino)-N-phenethyl-pyrimidine-5-carboxamide Openeye Name: 4-(cyclohexylmethylamino)-2-(3-imidazol-1-ylpropylamino)-N-phenethyl-pyrimidine-5-carboxamide CAS Name: 4-(cyclohexylmethylamino)-2-[3-(1-imidazolyl)propylamino]-N-phenethyl-5-pyrimidinecarboxamide IUPAC Name: 4-(cyclohexylmethylamino)-2-(3-imidazol-1-ylpropylamino)-N-phenethylpyrimidine-5-carboxamide Traditional Name: 4-(cyclohexylmethylamino)-2-(3-imidazol-1-ylpropylamino)-N-phenethyl-pyrimidine-5-carboxamide Formula: C26H35N7O MolecularWeight: 461.6024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=NC(=NC=C2C(=O)NCCC3=CC=CC=C3)NCCCN4C=CN=C4

Isomeric SMILES

C1CCC(CC1)CNC2=NC(=NC=C2C(=O)NCCC3=CC=CC=C3)NCCCN4C=CN=C4

InChI

InChI=1S/C26H35N7O/c34-25(28-14-12-21-8-3-1-4-9-21)23-19-31-26(29-13-7-16-33-17-15-27-20-33)32-24(23)30-18-22-10-5-2-6-11-22/h1,3-4,8-9,15,17,19-20,22H,2,5-7,10-14,16,18H2,(H,28,34)(H2,29,30,31,32)