4-[[5-bromanyl-4-[(2,6-dimethyl-4-propan-2-yl-phenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[5-bromanyl-4-[(2,6-dimethyl-4-propan-2-yl-phenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[5-bromo-4-(4-isopropyl-2,6-dimethyl-anilino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[5-bromo-4-(2,6-dimethyl-4-propan-2-ylanilino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[5-bromo-4-(2,6-dimethyl-4-propan-2-ylanilino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[5-bromo-4-(4-isopropyl-2,6-dimethyl-anilino)pyrimidin-2-yl]amino]benzonitrile Formula: C22H22BrN5 MolecularWeight: 436.34758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)C#N)C)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)C#N)C)C(C)C

InChI

InChI=1S/C22H22BrN5/c1-13(2)17-9-14(3)20(15(4)10-17)27-21-19(23)12-25-22(28-21)26-18-7-5-16(11-24)6-8-18/h5-10,12-13H,1-4H3,(H2,25,26,27,28)