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

Systemtic Name: 5-chloranyl-4-ethynyl-3-(phenylmethyl)-1,4-dihydropyrimidin-2-one Openeye Name: 3-benzyl-5-chloro-4-ethynyl-1,4-dihydropyrimidin-2-one CAS Name: 5-chloro-4-ethynyl-3-(phenylmethyl)-1,4-dihydropyrimidin-2-one IUPAC Name: 3-benzyl-5-chloro-4-ethynyl-1,4-dihydropyrimidin-2-one Traditional Name: 3-benzyl-5-chloro-4-ethynyl-1,4-dihydropyrimidin-2-one Formula: C13H11ClN2O MolecularWeight: 246.69224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O/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)