cyclohexanamine; 5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-yl-pyrimidin-4-one; hydrochloride

Systemtic Name: cyclohexanamine; 5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-yl-pyrimidin-4-one; hydrochloride Openeye Name: cyclohexanamine; 5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-(4-pyridyl)pyrimidin-4-one; hydrochloride CAS Name: cyclohexanamine; 5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-yl-4-pyrimidinone; hydrochloride IUPAC Name: cyclohexanamine; 5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-pyridin-4-ylpyrimidin-4-one; hydrochloride Traditional Name: cyclohexylamine; 5-(4-fluorophenyl)-3-methyl-2-(2-phenylpropylamino)-6-(4-pyridyl)pyrimidin-4-one; hydrochloride Formula: C31H37ClFN5O MolecularWeight: 550.109783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC(=C(C(=O)N1C)C2=CC=C(C=C2)F)C3=CC=NC=C3)C4=CC=CC=C4.C1CCC(CC1)N.Cl

Isomeric SMILES

CC(CNC1=NC(=C(C(=O)N1C)C2=CC=C(C=C2)F)C3=CC=NC=C3)C4=CC=CC=C4.C1CCC(CC1)N.Cl

InChI

InChI=1S/C25H23FN4O.C6H13N.ClH/c1-17(18-6-4-3-5-7-18)16-28-25-29-23(20-12-14-27-15-13-20)22(24(31)30(25)2)19-8-10-21(26)11-9-19;7-6-4-2-1-3-5-6;/h3-15,17H,16H2,1-2H3,(H,28,29);6H,1-5,7H2;1H