3-[[6-(5-bromanylpyridin-3-yl)-2-phenyl-pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[[6-(5-bromanylpyridin-3-yl)-2-phenyl-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[[6-(5-bromo-3-pyridyl)-2-phenyl-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[[6-(5-bromo-3-pyridinyl)-2-phenyl-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[[6-(5-bromopyridin-3-yl)-2-phenylpyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[[6-(5-bromo-3-pyridyl)-2-phenyl-pyrimidin-4-yl]amino]propionitrile Formula: C18H14BrN5 MolecularWeight: 380.24126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CC(=N2)NCCC#N)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CC(=N2)NCCC#N)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H14BrN5/c19-15-9-14(11-21-12-15)16-10-17(22-8-4-7-20)24-18(23-16)13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,8H2,(H,22,23,24)