ethyl 1-[6-(4-acetamidophenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[6-(4-acetamidophenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[6-(4-acetamidophenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[6-(4-acetamidophenoxy)-2-(methylthio)-4-pyrimidinyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-acetamidophenoxy)-2-methylsulfanylpyrimidin-4-yl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[6-(4-acetamidophenoxy)-2-(methylthio)pyrimidin-4-yl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=NC(=N2)SC)OC3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=NC(=N2)SC)OC3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C20H21N5O4S/c1-5-28-19(27)16-11-21-25(12(16)2)17-10-18(24-20(23-17)30-4)29-15-8-6-14(7-9-15)22-13(3)26/h6-11H,5H2,1-4H3,(H,22,26)