1-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]-7-(2-methoxyethyl)-8-methyl-3-propyl-purine-2,6-dione

Systemtic Name: 1-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]-7-(2-methoxyethyl)-8-methyl-3-propyl-purine-2,6-dione Openeye Name: 1-[2-(4-fluorophenyl)-2-hydroxy-ethyl]-7-(2-methoxyethyl)-8-methyl-3-propyl-purine-2,6-dione CAS Name: 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-(2-methoxyethyl)-8-methyl-3-propylpurine-2,6-dione IUPAC Name: 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-(2-methoxyethyl)-8-methyl-3-propylpurine-2,6-dione Traditional Name: 1-[2-(4-fluorophenyl)-2-hydroxy-ethyl]-7-(2-methoxyethyl)-8-methyl-3-propyl-xanthine Formula: C20H25FN4O4 MolecularWeight: 404.435303

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC(C3=CC=C(C=C3)F)O)N(C(=N2)C)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC(C3=CC=C(C=C3)F)O)N(C(=N2)C)CCOC

InChI

InChI=1S/C20H25FN4O4/c1-4-9-24-18-17(23(10-11-29-3)13(2)22-18)19(27)25(20(24)28)12-16(26)14-5-7-15(21)8-6-14/h5-8,16,26H,4,9-12H2,1-3H3