9-(1-cyclopropylbutyl)-8-ethyl-6-[2-methyl-4-(trifluoromethyloxy)phenyl]purine

Systemtic Name: 9-(1-cyclopropylbutyl)-8-ethyl-6-[2-methyl-4-(trifluoromethyloxy)phenyl]purine Openeye Name: 9-(1-cyclopropylbutyl)-8-ethyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]purine CAS Name: 9-(1-cyclopropylbutyl)-8-ethyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]purine IUPAC Name: 9-(1-cyclopropylbutyl)-8-ethyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]purine Traditional Name: 9-(1-cyclopropylbutyl)-8-ethyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]purine Formula: C22H25F3N4O MolecularWeight: 418.45531

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CC1)N2C(=NC3=C(N=CN=C32)C4=C(C=C(C=C4)OC(F)(F)F)C)CC

Isomeric SMILES

CCCC(C1CC1)N2C(=NC3=C(N=CN=C32)C4=C(C=C(C=C4)OC(F)(F)F)C)CC

InChI

InChI=1S/C22H25F3N4O/c1-4-6-17(14-7-8-14)29-18(5-2)28-20-19(26-12-27-21(20)29)16-10-9-15(11-13(16)3)30-22(23,24)25/h9-12,14,17H,4-8H2,1-3H3