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

Systemtic Name: 4-[[4-[(4-bromanyl-2,6-dimethyl-phenyl)methyl]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[(4-bromo-2,6-dimethyl-phenyl)methyl]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[(4-bromo-2,6-dimethylphenyl)methyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[(4-bromo-2,6-dimethylphenyl)methyl]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-bromo-2,6-dimethyl-benzyl)pyrimidin-2-yl]amino]benzonitrile Formula: C20H17BrN4 MolecularWeight: 393.27978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1CC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)Br

InChI

InChI=1S/C20H17BrN4/c1-13-9-16(21)10-14(2)19(13)11-18-7-8-23-20(25-18)24-17-5-3-15(12-22)4-6-17/h3-10H,11H2,1-2H3,(H,23,24,25)