9-(dicyclopropylmethyl)-8-ethyl-6-[4-propoxy-2-(trifluoromethyl)phenyl]purine

Systemtic Name: 9-(dicyclopropylmethyl)-8-ethyl-6-[4-propoxy-2-(trifluoromethyl)phenyl]purine Openeye Name: 9-(dicyclopropylmethyl)-8-ethyl-6-[4-propoxy-2-(trifluoromethyl)phenyl]purine CAS Name: 9-(dicyclopropylmethyl)-8-ethyl-6-[4-propoxy-2-(trifluoromethyl)phenyl]purine IUPAC Name: 9-(dicyclopropylmethyl)-8-ethyl-6-[4-propoxy-2-(trifluoromethyl)phenyl]purine Traditional Name: 9-(dicyclopropylmethyl)-8-ethyl-6-[4-propoxy-2-(trifluoromethyl)phenyl]purine Formula: C24H27F3N4O MolecularWeight: 444.49259

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C2=C3C(=NC=N2)N(C(=N3)CC)C(C4CC4)C5CC5)C(F)(F)F

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C2=C3C(=NC=N2)N(C(=N3)CC)C(C4CC4)C5CC5)C(F)(F)F

InChI

InChI=1S/C24H27F3N4O/c1-3-11-32-16-9-10-17(18(12-16)24(25,26)27)20-21-23(29-13-28-20)31(19(4-2)30-21)22(14-5-6-14)15-7-8-15/h9-10,12-15,22H,3-8,11H2,1-2H3