5-chloranyl-6-(2-phenylethynyl)-3-(phenylmethoxymethyl)-1,6-dihydropyrimidin-2-one

Systemtic Name: 5-chloranyl-6-(2-phenylethynyl)-3-(phenylmethoxymethyl)-1,6-dihydropyrimidin-2-one Openeye Name: 3-(benzyloxymethyl)-5-chloro-6-(2-phenylethynyl)-1,6-dihydropyrimidin-2-one CAS Name: 5-chloro-6-(2-phenylethynyl)-3-(phenylmethoxymethyl)-1,6-dihydropyrimidin-2-one IUPAC Name: 5-chloro-6-(2-phenylethynyl)-3-(phenylmethoxymethyl)-1,6-dihydropyrimidin-2-one Traditional Name: 3-(benzoxymethyl)-5-chloro-6-(2-phenylethynyl)-1,6-dihydropyrimidin-2-one Formula: C20H17ClN2O2 MolecularWeight: 352.81418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCN2C=C(C(NC2=O)C#CC3=CC=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)COCN2C=C(C(NC2=O)C#CC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H17ClN2O2/c21-18-13-23(15-25-14-17-9-5-2-6-10-17)20(24)22-19(18)12-11-16-7-3-1-4-8-16/h1-10,13,19H,14-15H2,(H,22,24)