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

Systemtic Name: methyl 6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: methyl 6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-2-(methylthio)-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-2-(methylthio)pyrimidine-4-carboxylic acid methyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-5-7-15-17(9-8-14(13(2)24)19(15)25)28-10-6-11-30-18-12-16(20(26)27-3)22-21(23-18)29-4/h8-9,12,25H,5-7,10-11H2,1-4H3