3-(4-pyrimidin-2-ylphenyl)prop-2-ynal

Systemtic Name: 3-(4-pyrimidin-2-ylphenyl)prop-2-ynal Openeye Name: 3-(4-pyrimidin-2-ylphenyl)prop-2-ynal CAS Name: 3-[4-(2-pyrimidinyl)phenyl]-2-propynal IUPAC Name: 3-(4-pyrimidin-2-ylphenyl)prop-2-ynal Traditional Name: 3-[4-(2-pyrimidyl)phenyl]propiolaldehyde Formula: C13H8N2O MolecularWeight: 208.21542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N2O/c16-10-1-3-11-4-6-12(7-5-11)13-14-8-2-9-15-13/h2,4-10H