3-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 3-[6-(3-pyridylmethylamino)pyrimidin-4-yl]benzonitrile CAS Name: 3-[6-(3-pyridinylmethylamino)-4-pyrimidinyl]benzonitrile IUPAC Name: 3-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]benzonitrile Traditional Name: 3-[6-(3-pyridylmethylamino)pyrimidin-4-yl]benzonitrile Formula: C17H13N5 MolecularWeight: 287.31862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=CC(=NC=N2)NCC3=CN=CC=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=CC(=NC=N2)NCC3=CN=CC=C3)C#N

InChI

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