N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholine-4-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholine-4-carboxamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholine-4-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-4-morpholinecarboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholine-4-carboxamide Traditional Name: 2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-N-p-anisyl-morpholine-4-carboxamide Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)NCC4=CC=C(C=C4)OC)SC

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)NCC4=CC=C(C=C4)OC)SC

InChI

InChI=1S/C21H26N6O4S/c1-14-10-18(27-19(23-14)24-20(25-27)32-3)31-13-17-12-26(8-9-30-17)21(28)22-11-15-4-6-16(29-2)7-5-15/h4-7,10,17H,8-9,11-13H2,1-3H3,(H,22,28)