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

Systemtic Name: 6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(3-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(3-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(3-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=O)N=CN2)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=O)N=CN2)C#N

InChI

InChI=1S/C12H9N3O2/c1-17-9-4-2-3-8(5-9)11-10(6-13)12(16)15-7-14-11/h2-5,7H,1H3,(H,14,15,16)