[5-bromanyl-6-(2-hydroxyethyl)-2-methylsulfanyl-pyrimidin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-bromanyl-6-(2-hydroxyethyl)-2-methylsulfanyl-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [5-bromo-6-(2-hydroxyethyl)-2-methylsulfanyl-pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-bromo-6-(2-hydroxyethyl)-2-(methylthio)-4-pyrimidinyl] ester IUPAC Name: [5-bromo-6-(2-hydroxyethyl)-2-methylsulfanylpyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-bromo-6-(2-hydroxyethyl)-2-(methylthio)pyrimidin-4-yl] ester Formula: C14H15BrN2O4S2 MolecularWeight: 419.3139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC(=C2Br)CCO)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC(=C2Br)CCO)SC

InChI

InChI=1S/C14H15BrN2O4S2/c1-9-3-5-10(6-4-9)23(19,20)21-13-12(15)11(7-8-18)16-14(17-13)22-2/h3-6,18H,7-8H2,1-2H3