2-[4-[[2-methyl-4-(2-morpholin-4-ylethylamino)-6-propyl-pyrimidin-5-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[2-methyl-4-(2-morpholin-4-ylethylamino)-6-propyl-pyrimidin-5-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[2-methyl-4-(2-morpholinoethylamino)-6-propyl-pyrimidin-5-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[2-methyl-4-[2-(4-morpholinyl)ethylamino]-6-propyl-5-pyrimidinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[2-methyl-4-(2-morpholin-4-ylethylamino)-6-propylpyrimidin-5-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[2-methyl-4-(2-morpholinoethylamino)-6-propyl-pyrimidin-5-yl]methyl]phenyl]benzonitrile Formula: C28H33N5O MolecularWeight: 455.59452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=N1)C)NCCN2CCOCC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCC1=C(C(=NC(=N1)C)NCCN2CCOCC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C28H33N5O/c1-3-6-27-26(28(32-21(2)31-27)30-13-14-33-15-17-34-18-16-33)19-22-9-11-23(12-10-22)25-8-5-4-7-24(25)20-29/h4-5,7-12H,3,6,13-19H2,1-2H3,(H,30,31,32)