[3-methoxy-4-(7H-purin-8-yl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-methoxy-4-(7H-purin-8-yl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [3-methoxy-4-(7H-purin-8-yl)phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-methoxy-4-(7H-purin-8-yl)phenyl] ester IUPAC Name: [3-methoxy-4-(7H-purin-8-yl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-methoxy-4-(7H-purin-8-yl)phenyl] ester Formula: C13H9F3N4O4S MolecularWeight: 374.29517

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OS(=O)(=O)C(F)(F)F)C2=NC3=NC=NC=C3N2

Isomeric SMILES

COC1=C(C=CC(=C1)OS(=O)(=O)C(F)(F)F)C2=NC3=NC=NC=C3N2

InChI

InChI=1S/C13H9F3N4O4S/c1-23-10-4-7(24-25(21,22)13(14,15)16)2-3-8(10)11-19-9-5-17-6-18-12(9)20-11/h2-6H,1H3,(H,17,18,19,20)