1-(2-hydroxyethyloxymethyl)-5-(2-phenylethynyl)-6-phenylsulfanyl-pyrimidine-2,4-dione

Systemtic Name: 1-(2-hydroxyethyloxymethyl)-5-(2-phenylethynyl)-6-phenylsulfanyl-pyrimidine-2,4-dione Openeye Name: 1-(2-hydroxyethoxymethyl)-5-(2-phenylethynyl)-6-phenylsulfanyl-pyrimidine-2,4-dione CAS Name: 1-(2-hydroxyethoxymethyl)-5-(2-phenylethynyl)-6-(phenylthio)pyrimidine-2,4-dione IUPAC Name: 1-(2-hydroxyethoxymethyl)-5-(2-phenylethynyl)-6-phenylsulfanylpyrimidine-2,4-dione Traditional Name: 1-(2-hydroxyethoxymethyl)-5-(2-phenylethynyl)-6-(phenylthio)pyrimidine-2,4-quinone Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C(N(C(=O)NC2=O)COCCO)SC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C(N(C(=O)NC2=O)COCCO)SC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O4S/c24-13-14-27-15-23-20(28-17-9-5-2-6-10-17)18(19(25)22-21(23)26)12-11-16-7-3-1-4-8-16/h1-10,24H,13-15H2,(H,22,25,26)