3-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]carbonyl-6,7-dihydro-5H-1-benzofuran-4-one

Systemtic Name: 3-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]carbonyl-6,7-dihydro-5H-1-benzofuran-4-one Openeye Name: 3-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholine-4-carbonyl]-6,7-dihydro-5H-benzofuran-4-one CAS Name: 3-[[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-4-morpholinyl]-oxomethyl]-6,7-dihydro-5H-benzofuran-4-one IUPAC Name: 3-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholine-4-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one Traditional Name: 3-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]morpholine-4-carbonyl]-6,7-dihydro-5H-benzofuran-4-one Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)C4=COC5=C4C(=O)CCC5)SC

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)C4=COC5=C4C(=O)CCC5)SC

InChI

InChI=1S/C21H23N5O5S/c1-12-8-17(26-20(22-12)23-21(24-26)32-2)31-10-13-9-25(6-7-29-13)19(28)14-11-30-16-5-3-4-15(27)18(14)16/h8,11,13H,3-7,9-10H2,1-2H3