6-chloranyl-4-[2-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-4-[2-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-chloro-4-[2-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 6-chloro-4-[2-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-4-morpholinyl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-4-[2-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-chloro-4-[2-keto-2-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]morpholino]ethyl]-1,4-benzoxazin-3-one Formula: C22H23ClN6O5S MolecularWeight: 518.97322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)CN4C(=O)COC5=C4C=C(C=C5)Cl)SC

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)CN4C(=O)COC5=C4C=C(C=C5)Cl)SC

InChI

InChI=1S/C22H23ClN6O5S/c1-13-7-20(29-21(24-13)25-22(26-29)35-2)34-11-15-9-27(5-6-32-15)18(30)10-28-16-8-14(23)3-4-17(16)33-12-19(28)31/h3-4,7-8,15H,5-6,9-12H2,1-2H3