2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(2-fluoranyl-4-methoxy-phenyl)ethanone

Systemtic Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(2-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(2-fluoro-4-methoxy-phenyl)ethanone CAS Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]-1-(2-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(2-fluoro-4-methoxyphenyl)ethanone Traditional Name: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]-1-(2-fluoro-4-methoxy-phenyl)ethanone Formula: C17H20FN7O2S MolecularWeight: 405.449803

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)C3=C(C=C(C=C3)OC)F

Isomeric SMILES

CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)C3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C17H20FN7O2S/c1-4-19-14-21-15(20-5-2)25-16(22-14)23-24-17(25)28-9-13(26)11-7-6-10(27-3)8-12(11)18/h6-8H,4-5,9H2,1-3H3,(H2,19,20,21,22,23)