2-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 2-[4-(3-pyridylmethylamino)pyrimidin-5-yl]benzonitrile CAS Name: 2-[4-(3-pyridinylmethylamino)-5-pyrimidinyl]benzonitrile IUPAC Name: 2-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzonitrile Traditional Name: 2-[4-(3-pyridylmethylamino)pyrimidin-5-yl]benzonitrile Formula: C17H13N5 MolecularWeight: 287.31862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CN=CN=C2NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CN=CN=C2NCC3=CN=CC=C3

InChI

InChI=1S/C17H13N5/c18-8-14-5-1-2-6-15(14)16-11-20-12-22-17(16)21-10-13-4-3-7-19-9-13/h1-7,9,11-12H,10H2,(H,20,21,22)