1,3-dibutyl-7-ethyl-8-[2,2,2-tris(fluoranyl)ethoxy]purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-ethyl-8-[2,2,2-tris(fluoranyl)ethoxy]purine-2,6-dione Openeye Name: 1,3-dibutyl-7-ethyl-8-(2,2,2-trifluoroethoxy)purine-2,6-dione CAS Name: 1,3-dibutyl-7-ethyl-8-(2,2,2-trifluoroethoxy)purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-ethyl-8-(2,2,2-trifluoroethoxy)purine-2,6-dione Traditional Name: 1,3-dibutyl-7-ethyl-8-(2,2,2-trifluoroethoxy)xanthine Formula: C17H25F3N4O3 MolecularWeight: 390.40061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C(=N2)OCC(F)(F)F)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C(=N2)OCC(F)(F)F)CC

InChI

InChI=1S/C17H25F3N4O3/c1-4-7-9-23-13-12(14(25)24(16(23)26)10-8-5-2)22(6-3)15(21-13)27-11-17(18,19)20/h4-11H2,1-3H3