1,3-dimethyl-7-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 7-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(4-besylpiperazino)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C19H22N6O5S MolecularWeight: 446.48018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H22N6O5S/c1-21-17-16(18(27)22(2)19(21)28)24(13-20-17)12-15(26)23-8-10-25(11-9-23)31(29,30)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3