3-[2-morpholin-4-yl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]phenol

Systemtic Name: 3-[2-morpholin-4-yl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]phenol Openeye Name: 3-[2-morpholino-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]phenol CAS Name: 3-[2-(4-morpholinyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-6-purinyl]phenol IUPAC Name: 3-[2-morpholin-4-yl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]phenol Traditional Name: 3-[2-morpholino-9-[4-(trifluoromethyl)benzyl]purin-6-yl]phenol Formula: C23H20F3N5O2 MolecularWeight: 455.43241

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=C3C(=N2)N(C=N3)CC4=CC=C(C=C4)C(F)(F)F)C5=CC(=CC=C5)O

Isomeric SMILES

C1COCCN1C2=NC(=C3C(=N2)N(C=N3)CC4=CC=C(C=C4)C(F)(F)F)C5=CC(=CC=C5)O

InChI

InChI=1S/C23H20F3N5O2/c24-23(25,26)17-6-4-15(5-7-17)13-31-14-27-20-19(16-2-1-3-18(32)12-16)28-22(29-21(20)31)30-8-10-33-11-9-30/h1-7,12,14,32H,8-11,13H2