8-[1-[4-(trifluoromethyloxy)phenyl]sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine

Systemtic Name: 8-[1-[4-(trifluoromethyloxy)phenyl]sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine Openeye Name: 8-[1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-piperidyl]-7H-purine-2,6-diamine CAS Name: 8-[1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-piperidinyl]-7H-purine-2,6-diamine IUPAC Name: 8-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine Traditional Name: [2-amino-8-[1-[4-(trifluoromethoxy)phenyl]sulfonyl-4-piperidyl]-7H-purin-6-yl]amine Formula: C17H18F3N7O3S MolecularWeight: 457.43013

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=C(N2)C(=NC(=N3)N)N)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1CN(CCC1C2=NC3=C(N2)C(=NC(=N3)N)N)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C17H18F3N7O3S/c18-17(19,20)30-10-1-3-11(4-2-10)31(28,29)27-7-5-9(6-8-27)14-23-12-13(21)24-16(22)26-15(12)25-14/h1-4,9H,5-8H2,(H5,21,22,23,24,25,26)