6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-2-methylsulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-2-methylsulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-2-methylsulfanyl-pyrimidine-4-carboxylic acid CAS Name: 6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-2-(methylthio)-4-pyrimidinecarboxylic acid IUPAC Name: 6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-2-methylsulfanylpyrimidine-4-carboxylic acid Traditional Name: 6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-2-(methylthio)pyrimidine-4-carboxylic acid Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NC(=NC(=C2)C(=O)O)SC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NC(=NC(=C2)C(=O)O)SC

InChI

InChI=1S/C20H24N2O5S2/c1-4-6-14-16(8-7-13(12(2)23)18(14)24)27-9-5-10-29-17-11-15(19(25)26)21-20(22-17)28-3/h7-8,11,24H,4-6,9-10H2,1-3H3,(H,25,26)