1-(2-hydroxyethyloxymethyl)-5-[2-(4-pentylphenyl)ethynyl]pyrimidine-2,4-dione

Systemtic Name: 1-(2-hydroxyethyloxymethyl)-5-[2-(4-pentylphenyl)ethynyl]pyrimidine-2,4-dione Openeye Name: 1-(2-hydroxyethoxymethyl)-5-[2-(4-pentylphenyl)ethynyl]pyrimidine-2,4-dione CAS Name: 1-(2-hydroxyethoxymethyl)-5-[2-(4-pentylphenyl)ethynyl]pyrimidine-2,4-dione IUPAC Name: 1-(2-hydroxyethoxymethyl)-5-[2-(4-pentylphenyl)ethynyl]pyrimidine-2,4-dione Traditional Name: 5-[2-(4-amylphenyl)ethynyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-quinone Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C#CC2=CN(C(=O)NC2=O)COCCO

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#CC2=CN(C(=O)NC2=O)COCCO

InChI

InChI=1S/C20H24N2O4/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-14-22(15-26-13-12-23)20(25)21-19(18)24/h6-9,14,23H,2-5,12-13,15H2,1H3,(H,21,24,25)