7-butan-2-yl-8-(4-fluoranylphenoxy)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-butan-2-yl-8-(4-fluoranylphenoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-fluorophenoxy)-1,3-dimethyl-7-sec-butyl-purine-2,6-dione CAS Name: 7-butan-2-yl-8-(4-fluorophenoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-butan-2-yl-8-(4-fluorophenoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-fluorophenoxy)-1,3-dimethyl-7-sec-butyl-xanthine Formula: C17H19FN4O3 MolecularWeight: 346.356163

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1OC3=CC=C(C=C3)F)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCC(C)N1C2=C(N=C1OC3=CC=C(C=C3)F)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H19FN4O3/c1-5-10(2)22-13-14(20(3)17(24)21(4)15(13)23)19-16(22)25-12-8-6-11(18)7-9-12/h6-10H,5H2,1-4H3