1,3-benzothiazol-6-yl-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methanone CAS Name: 1,3-benzothiazol-6-yl-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-4-morpholinyl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methanone Traditional Name: 1,3-benzothiazol-6-yl-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]morpholino]methanone Formula: C20H20N6O3S2 MolecularWeight: 456.5412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)C4=CC5=C(C=C4)N=CS5)SC

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)C4=CC5=C(C=C4)N=CS5)SC

InChI

InChI=1S/C20H20N6O3S2/c1-12-7-17(26-19(22-12)23-20(24-26)30-2)29-10-14-9-25(5-6-28-14)18(27)13-3-4-15-16(8-13)31-11-21-15/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3