2-(4-hexylphenyl)-6-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(4-hexylphenyl)-6-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(4-hexylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(4-hexylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-hexylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-hexylphenyl)-6-keto-1H-pyrimidine-5-carbonitrile Formula: C17H19N3O MolecularWeight: 281.35226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C#N

InChI

InChI=1S/C17H19N3O/c1-2-3-4-5-6-13-7-9-14(10-8-13)16-19-12-15(11-18)17(21)20-16/h7-10,12H,2-6H2,1H3,(H,19,20,21)