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

Systemtic Name: 1-adamantyl-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methanone Openeye Name: 1-adamantyl-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methanone CAS Name: 1-adamantyl-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-4-morpholinyl]methanone IUPAC Name: 1-adamantyl-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methanone Traditional Name: 1-adamantyl-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]morpholino]methanone Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)C45CC6CC(C4)CC(C6)C5)SC

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)C45CC6CC(C4)CC(C6)C5)SC

InChI

InChI=1S/C23H31N5O3S/c1-14-5-19(28-21(24-14)25-22(26-28)32-2)31-13-18-12-27(3-4-30-18)20(29)23-9-15-6-16(10-23)8-17(7-15)11-23/h5,15-18H,3-4,6-13H2,1-2H3