3-[phenyl(pyrimidin-2-yl)amino]propanenitrile

Systemtic Name: 3-[phenyl(pyrimidin-2-yl)amino]propanenitrile Openeye Name: 3-(N-pyrimidin-2-ylanilino)propanenitrile CAS Name: 3-[N-(2-pyrimidinyl)anilino]propanenitrile IUPAC Name: 3-(N-pyrimidin-2-ylanilino)propanenitrile Traditional Name: 3-[N-(2-pyrimidyl)anilino]propionitrile Formula: C13H12N4 MolecularWeight: 224.26118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C2=NC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C2=NC=CC=N2

InChI

InChI=1S/C13H12N4/c14-8-4-11-17(12-6-2-1-3-7-12)13-15-9-5-10-16-13/h1-3,5-7,9-10H,4,11H2