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

Systemtic Name: 1-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-yl-prop-2-en-1-one Openeye Name: 1-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-3-(2-pyridyl)prop-2-en-1-one CAS Name: 1-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-4-morpholinyl]-3-(2-pyridinyl)-2-propen-1-one IUPAC Name: 1-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one Traditional Name: 1-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]morpholino]-3-(2-pyridyl)prop-2-en-1-one Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)C=CC4=CC=CC=N4)SC

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)C=CC4=CC=CC=N4)SC

InChI

InChI=1S/C20H22N6O3S/c1-14-11-18(26-19(22-14)23-20(24-26)30-2)29-13-16-12-25(9-10-28-16)17(27)7-6-15-5-3-4-8-21-15/h3-8,11,16H,9-10,12-13H2,1-2H3