3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl 2-methylsulfanylpyrimidine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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