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

Systemtic Name: 3,7-dimethyl-1-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 1-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 1-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-3,7-dimethyl-xanthine Formula: C20H24N6O5S MolecularWeight: 460.50676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N6O5S/c1-22-14-21-18-17(22)19(28)26(20(29)23(18)2)12-16(27)24-8-10-25(11-9-24)32(30,31)13-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3