6-(4-ethylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-ethylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-ethylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-ethylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-ethylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-ethylphenyl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C13H11N3O MolecularWeight: 225.24594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=O)N=CN2)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=O)N=CN2)C#N

InChI

InChI=1S/C13H11N3O/c1-2-9-3-5-10(6-4-9)12-11(7-14)13(17)16-8-15-12/h3-6,8H,2H2,1H3,(H,15,16,17)