6-(3-cyanophenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3-cyanophenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(3-cyanophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-cyanophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(3-cyanophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(3-cyanophenyl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C12H6N4O MolecularWeight: 222.20224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H6N4O/c13-5-8-2-1-3-9(4-8)11-10(6-14)12(17)16-7-15-11/h1-4,7H,(H,15,16,17)