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

Systemtic Name: 1,3-dibutyl-7-butylsulfonyl-purine-2,6-dione Openeye Name: 1,3-dibutyl-7-butylsulfonyl-purine-2,6-dione CAS Name: 1,3-dibutyl-7-butylsulfonylpurine-2,6-dione IUPAC Name: 1,3-dibutyl-7-butylsulfonylpurine-2,6-dione Traditional Name: 1,3-dibutyl-7-butylsulfonyl-xanthine Formula: C17H28N4O4S MolecularWeight: 384.49362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O4S/c1-4-7-10-19-15-14(16(22)20(17(19)23)11-8-5-2)21(13-18-15)26(24,25)12-9-6-3/h13H,4-12H2,1-3H3