8-methoxy-7-methyl-3-[3,3,3-tris(fluoranyl)propyl]purine-2,6-dione

Systemtic Name: 8-methoxy-7-methyl-3-[3,3,3-tris(fluoranyl)propyl]purine-2,6-dione Openeye Name: 8-methoxy-7-methyl-3-(3,3,3-trifluoropropyl)purine-2,6-dione CAS Name: 8-methoxy-7-methyl-3-(3,3,3-trifluoropropyl)purine-2,6-dione IUPAC Name: 8-methoxy-7-methyl-3-(3,3,3-trifluoropropyl)purine-2,6-dione Traditional Name: 8-methoxy-7-methyl-3-(3,3,3-trifluoropropyl)xanthine Formula: C10H11F3N4O3 MolecularWeight: 292.21455

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC)N(C(=O)NC2=O)CCC(F)(F)F

Isomeric SMILES

CN1C2=C(N=C1OC)N(C(=O)NC2=O)CCC(F)(F)F

InChI

InChI=1S/C10H11F3N4O3/c1-16-5-6(14-9(16)20-2)17(4-3-10(11,12)13)8(19)15-7(5)18/h3-4H2,1-2H3,(H,15,18,19)