2-(4-pentylphenyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-(4-pentylphenyl)pyrimidine-5-carbonitrile Openeye Name: 2-(4-pentylphenyl)pyrimidine-5-carbonitrile CAS Name: 2-(4-pentylphenyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-(4-pentylphenyl)pyrimidine-5-carbonitrile Traditional Name: 2-(4-amylphenyl)pyrimidine-5-carbonitrile Formula: C16H17N3 MolecularWeight: 251.32628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C#N

InChI

InChI=1S/C16H17N3/c1-2-3-4-5-13-6-8-15(9-7-13)16-18-11-14(10-17)12-19-16/h6-9,11-12H,2-5H2,1H3