7-(3,3-dimethyl-2-oxidanylidene-butyl)-1-ethyl-3-(4-fluorophenyl)purine-2,6-dione

Systemtic Name: 7-(3,3-dimethyl-2-oxidanylidene-butyl)-1-ethyl-3-(4-fluorophenyl)purine-2,6-dione Openeye Name: 7-(3,3-dimethyl-2-oxo-butyl)-1-ethyl-3-(4-fluorophenyl)purine-2,6-dione CAS Name: 7-(3,3-dimethyl-2-oxobutyl)-1-ethyl-3-(4-fluorophenyl)purine-2,6-dione IUPAC Name: 7-(3,3-dimethyl-2-oxobutyl)-1-ethyl-3-(4-fluorophenyl)purine-2,6-dione Traditional Name: 1-ethyl-3-(4-fluorophenyl)-7-(2-keto-3,3-dimethyl-butyl)xanthine Formula: C19H21FN4O3 MolecularWeight: 372.393443

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CC(=O)C(C)(C)C)N(C1=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CC(=O)C(C)(C)C)N(C1=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN4O3/c1-5-23-17(26)15-16(21-11-22(15)10-14(25)19(2,3)4)24(18(23)27)13-8-6-12(20)7-9-13/h6-9,11H,5,10H2,1-4H3