4-[[5-bromanyl-6-chloranyl-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]amino]-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[[5-bromanyl-6-chloranyl-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]amino]-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[[5-bromo-6-chloro-2-(4-cyanoanilino)pyrimidin-4-yl]amino]-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-6-chloro-2-(4-cyanoanilino)-4-pyrimidinyl]amino]-3,5-dimethylbenzonitrile IUPAC Name: 4-[[5-bromo-6-chloro-2-(4-cyanoanilino)pyrimidin-4-yl]amino]-3,5-dimethylbenzonitrile Traditional Name: 4-[[5-bromo-6-chloro-2-(4-cyanoanilino)pyrimidin-4-yl]amino]-3,5-dimethyl-benzonitrile Formula: C20H14BrClN6 MolecularWeight: 453.72236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=C(C(=NC(=N2)NC3=CC=C(C=C3)C#N)Cl)Br)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1NC2=C(C(=NC(=N2)NC3=CC=C(C=C3)C#N)Cl)Br)C)C#N

InChI

InChI=1S/C20H14BrClN6/c1-11-7-14(10-24)8-12(2)17(11)26-19-16(21)18(22)27-20(28-19)25-15-5-3-13(9-23)4-6-15/h3-8H,1-2H3,(H2,25,26,27,28)