3-[2-[[4-(1-phenylethylamino)pyrimidin-2-yl]amino]ethyl]benzenecarbonitrile

Systemtic Name: 3-[2-[[4-(1-phenylethylamino)pyrimidin-2-yl]amino]ethyl]benzenecarbonitrile Openeye Name: 3-[2-[[4-(1-phenylethylamino)pyrimidin-2-yl]amino]ethyl]benzonitrile CAS Name: 3-[2-[[4-(1-phenylethylamino)-2-pyrimidinyl]amino]ethyl]benzonitrile IUPAC Name: 3-[2-[[4-(1-phenylethylamino)pyrimidin-2-yl]amino]ethyl]benzonitrile Traditional Name: 3-[2-[[4-(1-phenylethylamino)pyrimidin-2-yl]amino]ethyl]benzonitrile Formula: C21H21N5 MolecularWeight: 343.42494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC(=NC=C2)NCCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC(=NC=C2)NCCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H21N5/c1-16(19-8-3-2-4-9-19)25-20-11-13-24-21(26-20)23-12-10-17-6-5-7-18(14-17)15-22/h2-9,11,13-14,16H,10,12H2,1H3,(H2,23,24,25,26)