[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methanone

Systemtic Name: [2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methanone Openeye Name: (2,2-difluoro-1,3-benzodioxol-4-yl)-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methanone CAS Name: (2,2-difluoro-1,3-benzodioxol-4-yl)-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-4-morpholinyl]methanone IUPAC Name: (2,2-difluoro-1,3-benzodioxol-4-yl)-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methanone Traditional Name: (2,2-difluoro-1,3-benzodioxol-4-yl)-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]morpholino]methanone Formula: C20H19F2N5O5S MolecularWeight: 479.457166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)C4=C5C(=CC=C4)OC(O5)(F)F)SC

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)C4=C5C(=CC=C4)OC(O5)(F)F)SC

InChI

InChI=1S/C20H19F2N5O5S/c1-11-8-15(27-18(23-11)24-19(25-27)33-2)30-10-12-9-26(6-7-29-12)17(28)13-4-3-5-14-16(13)32-20(21,22)31-14/h3-5,8,12H,6-7,9-10H2,1-2H3