1,3-dibutyl-7-(2-fluorophenyl)sulfonyl-purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-(2-fluorophenyl)sulfonyl-purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(2-fluorophenyl)sulfonyl-purine-2,6-dione CAS Name: 1,3-dibutyl-7-(2-fluorophenyl)sulfonylpurine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(2-fluorophenyl)sulfonylpurine-2,6-dione Traditional Name: 1,3-dibutyl-7-(2-fluorophenyl)sulfonyl-xanthine Formula: C19H23FN4O4S MolecularWeight: 422.473723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H23FN4O4S/c1-3-5-11-22-17-16(18(25)23(19(22)26)12-6-4-2)24(13-21-17)29(27,28)15-10-8-7-9-14(15)20/h7-10,13H,3-6,11-12H2,1-2H3