3-[2-cyanoethyl-[4-[[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methyl]phenyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[4-[[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-(2-cyanoethyl)-4-[[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methyl]anilino]propanenitrile CAS Name: 3-[N-(2-cyanoethyl)-4-[[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-4-morpholinyl]methyl]anilino]propanenitrile IUPAC Name: 3-[N-(2-cyanoethyl)-4-[[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methyl]anilino]propanenitrile Traditional Name: 3-[N-(2-cyanoethyl)-4-[[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]morpholino]methyl]anilino]propionitrile Formula: C25H30N8O2S MolecularWeight: 506.6231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)CC4=CC=C(C=C4)N(CCC#N)CCC#N)SC

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)CC4=CC=C(C=C4)N(CCC#N)CCC#N)SC

InChI

InChI=1S/C25H30N8O2S/c1-19-15-23(33-24(28-19)29-25(30-33)36-2)35-18-22-17-31(13-14-34-22)16-20-5-7-21(8-6-20)32(11-3-9-26)12-4-10-27/h5-8,15,22H,3-4,11-14,16-18H2,1-2H3