1,3-dibutyl-8-methyl-7-(phenylsulfonyl)purine-2,6-dione

Systemtic Name: 1,3-dibutyl-8-methyl-7-(phenylsulfonyl)purine-2,6-dione Openeye Name: 7-(benzenesulfonyl)-1,3-dibutyl-8-methyl-purine-2,6-dione CAS Name: 7-(benzenesulfonyl)-1,3-dibutyl-8-methylpurine-2,6-dione IUPAC Name: 7-(benzenesulfonyl)-1,3-dibutyl-8-methylpurine-2,6-dione Traditional Name: 7-besyl-1,3-dibutyl-8-methyl-xanthine Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S/c1-4-6-13-22-18-17(19(25)23(20(22)26)14-7-5-2)24(15(3)21-18)29(27,28)16-11-9-8-10-12-16/h8-12H,4-7,13-14H2,1-3H3