4-[[4-[[4-(2-cyanoethyl)-2,6-dimethyl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[4-(2-cyanoethyl)-2,6-dimethyl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[4-(2-cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[4-(2-cyanoethyl)-2,6-dimethylanilino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[4-(2-cyanoethyl)-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[4-(2-cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile Formula: C22H20N6 MolecularWeight: 368.4344

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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)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h5-9,11-13H,3-4H2,1-2H3,(H2,25,26,27,28)