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

Systemtic Name: 4-oxidanylidene-6-(4-propanoylphenyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-6-(4-propanoylphenyl)-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-6-[4-(1-oxopropyl)phenyl]-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-6-(4-propanoylphenyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-propionylphenyl)-1H-pyrimidine-5-carbonitrile Formula: C14H11N3O2 MolecularWeight: 253.25604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O2/c1-2-12(18)9-3-5-10(6-4-9)13-11(7-15)14(19)17-8-16-13/h3-6,8H,2H2,1H3,(H,16,17,19)