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

Systemtic Name: 1,3-dibutyl-7-(phenylsulfonyl)purine-2,6-dione Openeye Name: 7-(benzenesulfonyl)-1,3-dibutyl-purine-2,6-dione CAS Name: 7-(benzenesulfonyl)-1,3-dibutylpurine-2,6-dione IUPAC Name: 7-(benzenesulfonyl)-1,3-dibutylpurine-2,6-dione Traditional Name: 7-besyl-1,3-dibutyl-xanthine Formula: C19H24N4O4S MolecularWeight: 404.48326

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S/c1-3-5-12-21-17-16(18(24)22(19(21)25)13-6-4-2)23(14-20-17)28(26,27)15-10-8-7-9-11-15/h7-11,14H,3-6,12-13H2,1-2H3