1-(4-pyrimidin-2-ylphenyl)prop-2-yn-1-one

Systemtic Name: 1-(4-pyrimidin-2-ylphenyl)prop-2-yn-1-one Openeye Name: 1-(4-pyrimidin-2-ylphenyl)prop-2-yn-1-one CAS Name: 1-[4-(2-pyrimidinyl)phenyl]-2-propyn-1-one IUPAC Name: 1-(4-pyrimidin-2-ylphenyl)prop-2-yn-1-one Traditional Name: 1-[4-(2-pyrimidyl)phenyl]prop-2-yn-1-one Formula: C13H8N2O MolecularWeight: 208.21542

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(=O)C1=CC=C(C=C1)C2=NC=CC=N2

Isomeric SMILES

C#CC(=O)C1=CC=C(C=C1)C2=NC=CC=N2

InChI

InChI=1S/C13H8N2O/c1-2-12(16)10-4-6-11(7-5-10)13-14-8-3-9-15-13/h1,3-9H