4-[[4-[[4-(2-cyano-1-oxidanyl-ethyl)-2,6-dimethyl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[4-(2-cyano-1-oxidanyl-ethyl)-2,6-dimethyl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[4-(2-cyano-1-hydroxy-ethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[4-(2-cyano-1-hydroxyethyl)-2,6-dimethylanilino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[4-(2-cyano-1-hydroxyethyl)-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[4-(2-cyano-1-hydroxy-ethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile Formula: C22H20N6O MolecularWeight: 384.4338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C(CC#N)O

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C(CC#N)O

InChI

InChI=1S/C22H20N6O/c1-14-11-17(19(29)7-9-23)12-15(2)21(14)27-20-8-10-25-22(28-20)26-18-5-3-16(13-24)4-6-18/h3-6,8,10-12,19,29H,7H2,1-2H3,(H2,25,26,27,28)