[6-azanyl-2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyrimidin-4-yl] benzenesulfonate

Systemtic Name: [6-azanyl-2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyrimidin-4-yl] benzenesulfonate Openeye Name: [6-amino-2-(2,2,2-trifluoroethylsulfanyl)pyrimidin-4-yl] benzenesulfonate CAS Name: benzenesulfonic acid [6-amino-2-(2,2,2-trifluoroethylthio)-4-pyrimidinyl] ester IUPAC Name: [6-amino-2-(2,2,2-trifluoroethylsulfanyl)pyrimidin-4-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [6-amino-2-(2,2,2-trifluoroethylthio)pyrimidin-4-yl] ester Formula: C12H10F3N3O3S2 MolecularWeight: 365.35131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC(=C2)N)SCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC(=C2)N)SCC(F)(F)F

InChI

InChI=1S/C12H10F3N3O3S2/c13-12(14,15)7-22-11-17-9(16)6-10(18-11)21-23(19,20)8-4-2-1-3-5-8/h1-6H,7H2,(H2,16,17,18)