4-[[4-[(4-bromanyl-2-methyl-6-propan-2-yl-phenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4-bromanyl-2-methyl-6-propan-2-yl-phenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4-bromo-2-isopropyl-6-methyl-anilino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(4-bromo-2-methyl-6-propan-2-ylanilino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(4-bromo-2-methyl-6-propan-2-ylanilino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-bromo-2-isopropyl-6-methyl-anilino)pyrimidin-2-yl]amino]benzonitrile Formula: C21H20BrN5 MolecularWeight: 422.321

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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)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN5/c1-13(2)18-11-16(22)10-14(3)20(18)26-19-8-9-24-21(27-19)25-17-6-4-15(12-23)5-7-17/h4-11,13H,1-3H3,(H2,24,25,26,27)