2-(5-pentylpyrimidin-4-yl)benzenecarbonitrile

Systemtic Name: 2-(5-pentylpyrimidin-4-yl)benzenecarbonitrile Openeye Name: 2-(5-pentylpyrimidin-4-yl)benzonitrile CAS Name: 2-(5-pentyl-4-pyrimidinyl)benzonitrile IUPAC Name: 2-(5-pentylpyrimidin-4-yl)benzonitrile Traditional Name: 2-(5-amylpyrimidin-4-yl)benzonitrile Formula: C16H17N3 MolecularWeight: 251.32628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=CN=C1C2=CC=CC=C2C#N

Isomeric SMILES

CCCCCC1=CN=CN=C1C2=CC=CC=C2C#N

InChI

InChI=1S/C16H17N3/c1-2-3-4-8-14-11-18-12-19-16(14)15-9-6-5-7-13(15)10-17/h5-7,9,11-12H,2-4,8H2,1H3