1,3,7-trimethyl-8-[2-[2-(phenylmethyl)sulfonylbenzimidazol-1-yl]ethylsulfanyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[2-[2-(phenylmethyl)sulfonylbenzimidazol-1-yl]ethylsulfanyl]purine-2,6-dione Openeye Name: 8-[2-(2-benzylsulfonylbenzimidazol-1-yl)ethylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[2-[2-(phenylmethyl)sulfonyl-1-benzimidazolyl]ethylthio]purine-2,6-dione IUPAC Name: 8-[2-(2-benzylsulfonylbenzimidazol-1-yl)ethylsulfanyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[2-(2-benzylsulfonylbenzimidazol-1-yl)ethylthio]-1,3,7-trimethyl-xanthine Formula: C24H24N6O4S2 MolecularWeight: 524.61516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCN3C4=CC=CC=C4N=C3S(=O)(=O)CC5=CC=CC=C5)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCCN3C4=CC=CC=C4N=C3S(=O)(=O)CC5=CC=CC=C5)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C24H24N6O4S2/c1-27-19-20(28(2)24(32)29(3)21(19)31)26-22(27)35-14-13-30-18-12-8-7-11-17(18)25-23(30)36(33,34)15-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3