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

Systemtic Name: 6-oxidanylidene-2-(4-pentylphenyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 6-oxo-2-(4-pentylphenyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-oxo-2-(4-pentylphenyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-oxo-2-(4-pentylphenyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-amylphenyl)-6-keto-1H-pyrimidine-5-carbonitrile Formula: C16H17N3O MolecularWeight: 267.32568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O/c1-2-3-4-5-12-6-8-13(9-7-12)15-18-11-14(10-17)16(20)19-15/h6-9,11H,2-5H2,1H3,(H,18,19,20)