1,3-dibutyl-7-octylsulfonyl-purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-octylsulfonyl-purine-2,6-dione Openeye Name: 1,3-dibutyl-7-octylsulfonyl-purine-2,6-dione CAS Name: 1,3-dibutyl-7-octylsulfonylpurine-2,6-dione IUPAC Name: 1,3-dibutyl-7-octylsulfonylpurine-2,6-dione Traditional Name: 1,3-dibutyl-7-octylsulfonyl-xanthine Formula: C21H36N4O4S MolecularWeight: 440.59994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1C=NC2=C1C(=O)N(C(=O)N2CCCC)CCCC

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1C=NC2=C1C(=O)N(C(=O)N2CCCC)CCCC

InChI

InChI=1S/C21H36N4O4S/c1-4-7-10-11-12-13-16-30(28,29)25-17-22-19-18(25)20(26)24(15-9-6-3)21(27)23(19)14-8-5-2/h17H,4-16H2,1-3H3