3-(3-bromanyl-4-fluoranyl-phenyl)-1-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one

Systemtic Name: 3-(3-bromanyl-4-fluoranyl-phenyl)-1-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one Openeye Name: 3-(3-bromo-4-fluoro-phenyl)-1-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one CAS Name: 3-(3-bromo-4-fluorophenyl)-1-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-4-morpholinyl]-2-propen-1-one IUPAC Name: 3-(3-bromo-4-fluorophenyl)-1-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one Traditional Name: 3-(3-bromo-4-fluoro-phenyl)-1-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]morpholino]prop-2-en-1-one Formula: C21H21BrFN5O3S MolecularWeight: 522.390543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)C=CC4=CC(=C(C=C4)F)Br)SC

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)C=CC4=CC(=C(C=C4)F)Br)SC

InChI

InChI=1S/C21H21BrFN5O3S/c1-13-9-19(28-20(24-13)25-21(26-28)32-2)31-12-15-11-27(7-8-30-15)18(29)6-4-14-3-5-17(23)16(22)10-14/h3-6,9-10,15H,7-8,11-12H2,1-2H3