4-[[4-[[2-(2-methylphenyl)-2-oxidanyl-ethyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[2-(2-methylphenyl)-2-oxidanyl-ethyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[[2-hydroxy-2-(o-tolyl)ethyl]amino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[[2-hydroxy-2-(o-tolyl)ethyl]amino]pyrimidin-2-yl]amino]benzonitrile Formula: C20H19N5O MolecularWeight: 345.39776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CNC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC1=CC=CC=C1C(CNC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C20H19N5O/c1-14-4-2-3-5-17(14)18(26)13-23-19-10-11-22-20(25-19)24-16-8-6-15(12-21)7-9-16/h2-11,18,26H,13H2,1H3,(H2,22,23,24,25)