N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-2-(7H-purin-6-ylthio)acetamide Formula: C18H17F3N6O2S MolecularWeight: 438.42679

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H17F3N6O2S/c19-18(20,21)11-1-2-13(27-3-5-29-6-4-27)12(7-11)26-14(28)8-30-17-15-16(23-9-22-15)24-10-25-17/h1-2,7,9-10H,3-6,8H2,(H,26,28)(H,22,23,24,25)