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

Systemtic Name: 4-oxidanylidene-6-(3-phenoxyphenyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-6-(3-phenoxyphenyl)-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-6-(3-phenoxyphenyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-6-(3-phenoxyphenyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(3-phenoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C17H11N3O2 MolecularWeight: 289.28814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(C(=O)N=CN3)C#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(C(=O)N=CN3)C#N

InChI

InChI=1S/C17H11N3O2/c18-10-15-16(19-11-20-17(15)21)12-5-4-8-14(9-12)22-13-6-2-1-3-7-13/h1-9,11H,(H,19,20,21)