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

Systemtic Name: (2-methyl-3H-benzimidazol-5-yl)-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methanone Openeye Name: (2-methyl-3H-benzimidazol-5-yl)-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methanone CAS Name: (2-methyl-3H-benzimidazol-5-yl)-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-4-morpholinyl]methanone IUPAC Name: (2-methyl-3H-benzimidazol-5-yl)-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]methanone Traditional Name: (2-methyl-3H-benzimidazol-5-yl)-[2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]morpholino]methanone Formula: C21H23N7O3S MolecularWeight: 453.51742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)C4=CC5=C(C=C4)N=C(N5)C)SC

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)C4=CC5=C(C=C4)N=C(N5)C)SC

InChI

InChI=1S/C21H23N7O3S/c1-12-8-18(28-20(22-12)25-21(26-28)32-3)31-11-15-10-27(6-7-30-15)19(29)14-4-5-16-17(9-14)24-13(2)23-16/h4-5,8-9,15H,6-7,10-11H2,1-3H3,(H,23,24)