1-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-5-thiophen-2-yl-pentan-1-one

Systemtic Name: 1-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-5-thiophen-2-yl-pentan-1-one Openeye Name: 1-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-5-(2-thienyl)pentan-1-one CAS Name: 1-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-4-morpholinyl]-5-thiophen-2-yl-1-pentanone IUPAC Name: 1-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-5-thiophen-2-ylpentan-1-one Traditional Name: 1-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]morpholino]-5-(2-thienyl)pentan-1-one Formula: C21H27N5O3S2 MolecularWeight: 461.60078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)CCCCC4=CC=CS4)SC

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)CCCCC4=CC=CS4)SC

InChI

InChI=1S/C21H27N5O3S2/c1-15-12-19(26-20(22-15)23-21(24-26)30-2)29-14-16-13-25(9-10-28-16)18(27)8-4-3-6-17-7-5-11-31-17/h5,7,11-12,16H,3-4,6,8-10,13-14H2,1-2H3