ethyl 1-[6-(3,4-dimethylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[6-(3,4-dimethylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[6-(3,4-dimethylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[6-(3,4-dimethylphenoxy)-2-(methylthio)-4-pyrimidinyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3,4-dimethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[6-(3,4-dimethylphenoxy)-2-(methylthio)pyrimidin-4-yl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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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)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-6-26-19(25)16-11-21-24(14(16)4)17-10-18(23-20(22-17)28-5)27-15-8-7-12(2)13(3)9-15/h7-11H,6H2,1-5H3