[7-hex-1-ynyl-1,3-dimethyl-2,4-bis(oxidanylidene)pteridin-6-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [7-hex-1-ynyl-1,3-dimethyl-2,4-bis(oxidanylidene)pteridin-6-yl] tris(fluoranyl)methanesulfonate Openeye Name: (7-hex-1-ynyl-1,3-dimethyl-2,4-dioxo-pteridin-6-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (7-hex-1-ynyl-1,3-dimethyl-2,4-dioxo-6-pteridinyl) ester IUPAC Name: (7-hex-1-ynyl-1,3-dimethyl-2,4-dioxopteridin-6-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (7-hex-1-ynyl-2,4-diketo-1,3-dimethyl-pteridin-6-yl) ester Formula: C15H15F3N4O5S MolecularWeight: 420.36361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(N=C2C(=N1)N(C(=O)N(C2=O)C)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCC#CC1=C(N=C2C(=N1)N(C(=O)N(C2=O)C)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H15F3N4O5S/c1-4-5-6-7-8-9-12(27-28(25,26)15(16,17)18)20-10-11(19-9)21(2)14(24)22(3)13(10)23/h4-6H2,1-3H3