[9-(2-cyanoethyl)-6-prop-2-enoxy-purin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [9-(2-cyanoethyl)-6-prop-2-enoxy-purin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [6-allyloxy-9-(2-cyanoethyl)purin-2-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [9-(2-cyanoethyl)-6-prop-2-enoxy-2-purinyl] ester IUPAC Name: [9-(2-cyanoethyl)-6-prop-2-enoxypurin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-allyloxy-9-(2-cyanoethyl)purin-2-yl] ester Formula: C12H10F3N5O4S MolecularWeight: 377.29911

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=NC(=NC2=C1N=CN2CCC#N)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C=CCOC1=NC(=NC2=C1N=CN2CCC#N)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H10F3N5O4S/c1-2-6-23-10-8-9(20(7-17-8)5-3-4-16)18-11(19-10)24-25(21,22)12(13,14)15/h2,7H,1,3,5-6H2