1-[3-(hydroxymethyl)-4-oxidanyl-but-2-enyl]-5-[2-(4-pentylphenyl)ethynyl]pyrimidine-2,4-dione

Systemtic Name: 1-[3-(hydroxymethyl)-4-oxidanyl-but-2-enyl]-5-[2-(4-pentylphenyl)ethynyl]pyrimidine-2,4-dione Openeye Name: 1-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]-5-[2-(4-pentylphenyl)ethynyl]pyrimidine-2,4-dione CAS Name: 1-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]-5-[2-(4-pentylphenyl)ethynyl]pyrimidine-2,4-dione IUPAC Name: 1-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]-5-[2-(4-pentylphenyl)ethynyl]pyrimidine-2,4-dione Traditional Name: 5-[2-(4-amylphenyl)ethynyl]-1-(4-hydroxy-3-methylol-but-2-enyl)pyrimidine-2,4-quinone Formula: C22H26N2O4 MolecularWeight: 382.45284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-2-3-4-5-17-6-8-18(9-7-17)10-11-20-14-24(22(28)23-21(20)27)13-12-19(15-25)16-26/h6-9,12,14,25-26H,2-5,13,15-16H2,1H3,(H,23,27,28)