6-morpholin-4-yl-N2,N8-bis[3-(trifluoromethyl)phenyl]-7H-purine-2,8-diamine

Systemtic Name: 6-morpholin-4-yl-N2,N8-bis[3-(trifluoromethyl)phenyl]-7H-purine-2,8-diamine Openeye Name: 6-morpholino-N2,N8-bis[3-(trifluoromethyl)phenyl]-7H-purine-2,8-diamine CAS Name: 6-(4-morpholinyl)-N2,N8-bis[3-(trifluoromethyl)phenyl]-7H-purine-2,8-diamine IUPAC Name: 6-morpholin-4-yl-2-N,8-N-bis[3-(trifluoromethyl)phenyl]-7H-purine-2,8-diamine Traditional Name: [6-morpholino-2-[3-(trifluoromethyl)anilino]-7H-purin-8-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C23H19F6N7O MolecularWeight: 523.433679

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC3=C2NC(=N3)NC4=CC=CC(=C4)C(F)(F)F)NC5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1COCCN1C2=NC(=NC3=C2NC(=N3)NC4=CC=CC(=C4)C(F)(F)F)NC5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C23H19F6N7O/c24-22(25,26)13-3-1-5-15(11-13)30-20-32-17-18(33-20)34-21(35-19(17)36-7-9-37-10-8-36)31-16-6-2-4-14(12-16)23(27,28)29/h1-6,11-12H,7-10H2,(H3,30,31,32,33,34,35)