(phenylmethyl) 3-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-3-oxidanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-3-oxidanylidene-propanoate Openeye Name: benzyl 3-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-3-oxo-propanoate CAS Name: 3-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-4-morpholinyl]-3-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-3-oxopropanoate Traditional Name: 3-keto-3-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]morpholino]propionic acid benzyl ester Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)CC(=O)OCC4=CC=CC=C4)SC

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)CC(=O)OCC4=CC=CC=C4)SC

InChI

InChI=1S/C22H25N5O5S/c1-15-10-19(27-21(23-15)24-22(25-27)33-2)31-14-17-12-26(8-9-30-17)18(28)11-20(29)32-13-16-6-4-3-5-7-16/h3-7,10,17H,8-9,11-14H2,1-2H3