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

Systemtic Name: 4-[[5-bromanyl-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]amino]-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[[5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]amino]-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-(4-cyanoanilino)-4-pyrimidinyl]amino]-3,5-dimethylbenzonitrile IUPAC Name: 4-[[5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]amino]-3,5-dimethylbenzonitrile Traditional Name: 4-[[5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]amino]-3,5-dimethyl-benzonitrile Formula: C20H15BrN6 MolecularWeight: 419.2773

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN6/c1-12-7-15(10-23)8-13(2)18(12)26-19-17(21)11-24-20(27-19)25-16-5-3-14(9-22)4-6-16/h3-8,11H,1-2H3,(H2,24,25,26,27)