4-ethynyl-5-fluoranyl-3-(phenylmethyl)-1,4-dihydropyrimidin-2-one

Systemtic Name: 4-ethynyl-5-fluoranyl-3-(phenylmethyl)-1,4-dihydropyrimidin-2-one Openeye Name: 3-benzyl-4-ethynyl-5-fluoro-1,4-dihydropyrimidin-2-one CAS Name: 4-ethynyl-5-fluoro-3-(phenylmethyl)-1,4-dihydropyrimidin-2-one IUPAC Name: 3-benzyl-4-ethynyl-5-fluoro-1,4-dihydropyrimidin-2-one Traditional Name: 3-benzyl-4-ethynyl-5-fluoro-1,4-dihydropyrimidin-2-one Formula: C13H11FN2O MolecularWeight: 230.237643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1C(=CNC(=O)N1CC2=CC=CC=C2)F

Isomeric SMILES

C#CC1C(=CNC(=O)N1CC2=CC=CC=C2)F

InChI

InChI=1S/C13H11FN2O/c1-2-12-11(14)8-15-13(17)16(12)9-10-6-4-3-5-7-10/h1,3-8,12H,9H2,(H,15,17)