Analyte Name

5-[6-(3,4-Dimethylphenyl)-2,3,4,7-tetrahydro-1-methyl-2,4-dioxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methyl-3-thiophenecarboxylic Acid, Ethyl Ester

CAS Number

1243071-99-9

Molecular Formula

C23 H23 N3 O5 S

Molecular Weight

453.511

Accurate Mass

453.136

SMILES

CCOC(=O)c1c(C)sc(c1O)c2c([nH]c3N(C)C(=O)NC(=O)c23)c4ccc(C)c(C)c4

InChI

InChI=1S/C23H23N3O5S/c1-6-31-22(29)14-12(4)32-19(18(14)27)15-16-20(26(5)23(30)25-21(16)28)24-17(15)13-8-7-10(2)11(3)9-13/h7-9,24,27H,6H2,1-5H3,(H,25,28,30)

IUPAC

ethyl 5-[6-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-hydroxy-2-methylthiophene-3-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat