4-[[5-(6-bromanylpyridin-3-yl)-4-methyl-pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[5-(6-bromanylpyridin-3-yl)-4-methyl-pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[5-(6-bromo-3-pyridyl)-4-methyl-pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[5-(6-bromo-3-pyridinyl)-4-methyl-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[5-(6-bromopyridin-3-yl)-4-methylpyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[5-(6-bromo-3-pyridyl)-4-methyl-pyrimidin-2-yl]amino]benzonitrile Formula: C17H12BrN5 MolecularWeight: 366.21468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C2=CN=C(C=C2)Br)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=NC(=NC=C1C2=CN=C(C=C2)Br)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H12BrN5/c1-11-15(13-4-7-16(18)20-9-13)10-21-17(22-11)23-14-5-2-12(8-19)3-6-14/h2-7,9-10H,1H3,(H,21,22,23)