3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-2-methylsulfanyl-5-sulfanylidene-4,6-dihydropyrimidine-4-carboxylic acid

Systemtic Name: 3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-2-methylsulfanyl-5-sulfanylidene-4,6-dihydropyrimidine-4-carboxylic acid Openeye Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-2-methylsulfanyl-5-thioxo-4,6-dihydropyrimidine-4-carboxylic acid CAS Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-2-(methylthio)-5-sulfanylidene-4,6-dihydropyrimidine-4-carboxylic acid IUPAC Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-2-methylsulfanyl-5-sulfanylidene-4,6-dihydropyrimidine-4-carboxylic acid Traditional Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-2-(methylthio)-5-thioxo-4,6-dihydropyrimidine-4-carboxylic acid Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCN2C(C(=S)CN=C2SC)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCN2C(C(=S)CN=C2SC)C(=O)O

InChI

InChI=1S/C20H26N2O5S2/c1-4-6-14-15(8-7-13(12(2)23)18(14)24)27-10-5-9-22-17(19(25)26)16(28)11-21-20(22)29-3/h7-8,17,24H,4-6,9-11H2,1-3H3,(H,25,26)