2-azanyl-3-[4-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-5-methyl-pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-[4-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-5-methyl-pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-amino-3-[4-(4-bromo-2,6-dimethyl-anilino)-5-methyl-pyrimidin-2-yl]benzonitrile CAS Name: 2-amino-3-[4-(4-bromo-2,6-dimethylanilino)-5-methyl-2-pyrimidinyl]benzonitrile IUPAC Name: 2-amino-3-[4-(4-bromo-2,6-dimethylanilino)-5-methylpyrimidin-2-yl]benzonitrile Traditional Name: 2-amino-3-[4-(4-bromo-2,6-dimethyl-anilino)-5-methyl-pyrimidin-2-yl]benzonitrile Formula: C20H18BrN5 MolecularWeight: 408.29442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC=C2C)C3=CC=CC(=C3N)C#N)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC=C2C)C3=CC=CC(=C3N)C#N)C)Br

InChI

InChI=1S/C20H18BrN5/c1-11-7-15(21)8-12(2)18(11)25-19-13(3)10-24-20(26-19)16-6-4-5-14(9-22)17(16)23/h4-8,10H,23H2,1-3H3,(H,24,25,26)