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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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