7-(3,3-dimethyl-2-oxidanylidene-butyl)-3-(3-fluorophenyl)-1-(2-methoxyethyl)purine-2,6-dione

Systemtic Name: 7-(3,3-dimethyl-2-oxidanylidene-butyl)-3-(3-fluorophenyl)-1-(2-methoxyethyl)purine-2,6-dione Openeye Name: 7-(3,3-dimethyl-2-oxo-butyl)-3-(3-fluorophenyl)-1-(2-methoxyethyl)purine-2,6-dione CAS Name: 7-(3,3-dimethyl-2-oxobutyl)-3-(3-fluorophenyl)-1-(2-methoxyethyl)purine-2,6-dione IUPAC Name: 7-(3,3-dimethyl-2-oxobutyl)-3-(3-fluorophenyl)-1-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-(3-fluorophenyl)-7-(2-keto-3,3-dimethyl-butyl)-1-(2-methoxyethyl)xanthine Formula: C20H23FN4O4 MolecularWeight: 402.419423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC(=CC=C3)F)CCOC

Isomeric SMILES

CC(C)(C)C(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC(=CC=C3)F)CCOC

InChI

InChI=1S/C20H23FN4O4/c1-20(2,3)15(26)11-23-12-22-17-16(23)18(27)24(8-9-29-4)19(28)25(17)14-7-5-6-13(21)10-14/h5-7,10,12H,8-9,11H2,1-4H3