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

Systemtic Name: 6-(2-methylphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(o-tolyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(2-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(2-methylphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(o-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C12H9N3O MolecularWeight: 211.21936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C(=O)N=CN2)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=C(C(=O)N=CN2)C#N

InChI

InChI=1S/C12H9N3O/c1-8-4-2-3-5-9(8)11-10(6-13)12(16)15-7-14-11/h2-5,7H,1H3,(H,14,15,16)