ethyl 1-[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[3-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[3-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CSC3=NC(=CC(=N3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)CSC3=NC(=CC(=N3)C)C)C

InChI

InChI=1S/C21H23N5O3S/c1-5-29-20(28)18-11-22-26(15(18)4)17-8-6-7-16(10-17)25-19(27)12-30-21-23-13(2)9-14(3)24-21/h6-11H,5,12H2,1-4H3,(H,25,27)