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

Systemtic Name: 2-(4-heptylphenyl)-6-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(4-heptylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(4-heptylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-heptylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-heptylphenyl)-6-keto-1H-pyrimidine-5-carbonitrile Formula: C18H21N3O MolecularWeight: 295.37884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C#N

InChI

InChI=1S/C18H21N3O/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)17-20-13-16(12-19)18(22)21-17/h8-11,13H,2-7H2,1H3,(H,20,21,22)