2-ethylsulfanylethyl 6-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl 6-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-ethylsulfanylethyl 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C18H23BrN2O5S MolecularWeight: 459.35462

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C(=C2)Br)O)OC)C)C

Isomeric SMILES

CCSCCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C(=C2)Br)O)OC)C)C

InChI

InChI=1S/C18H23BrN2O5S/c1-5-27-7-6-26-17(23)14-10(2)21(3)18(24)20-15(14)11-8-12(19)16(22)13(9-11)25-4/h8-9,15,22H,5-7H2,1-4H3,(H,20,24)