ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-yl-pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-yl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[6-(methylsulfonylmethyl)-2-(2-pyridyl)pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[6-(methylsulfonylmethyl)-2-(2-pyridinyl)-4-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(methylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[6-(mesylmethyl)-2-(2-pyridyl)pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C15H17N3O4S2 MolecularWeight: 367.44318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC(=C1)CS(=O)(=O)C)C2=CC=CC=N2

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC(=C1)CS(=O)(=O)C)C2=CC=CC=N2

InChI

InChI=1S/C15H17N3O4S2/c1-3-22-14(19)9-23-13-8-11(10-24(2,20)21)17-15(18-13)12-6-4-5-7-16-12/h4-8H,3,9-10H2,1-2H3