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

Systemtic Name: 4-(2-hexylphenyl)pyrimidine-5-carbonitrile Openeye Name: 4-(2-hexylphenyl)pyrimidine-5-carbonitrile CAS Name: 4-(2-hexylphenyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-(2-hexylphenyl)pyrimidine-5-carbonitrile Traditional Name: 4-(2-hexylphenyl)pyrimidine-5-carbonitrile Formula: C17H19N3 MolecularWeight: 265.35286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1C2=NC=NC=C2C#N

Isomeric SMILES

CCCCCCC1=CC=CC=C1C2=NC=NC=C2C#N

InChI

InChI=1S/C17H19N3/c1-2-3-4-5-8-14-9-6-7-10-16(14)17-15(11-18)12-19-13-20-17/h6-7,9-10,12-13H,2-5,8H2,1H3