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

Systemtic Name: 1,3-dibutyl-7-(phenylmethyl)sulfonyl-purine-2,6-dione Openeye Name: 7-benzylsulfonyl-1,3-dibutyl-purine-2,6-dione CAS Name: 1,3-dibutyl-7-(phenylmethyl)sulfonylpurine-2,6-dione IUPAC Name: 7-benzylsulfonyl-1,3-dibutylpurine-2,6-dione Traditional Name: 7-benzylsulfonyl-1,3-dibutyl-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)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O4S/c1-3-5-12-22-18-17(19(25)23(20(22)26)13-6-4-2)24(15-21-18)29(27,28)14-16-10-8-7-9-11-16/h7-11,15H,3-6,12-14H2,1-2H3