1-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[2-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[2-(4-indan-5-ylsulfonylpiperazino)-2-keto-ethyl]-3,7-dimethyl-xanthine Formula: C22H26N6O5S MolecularWeight: 486.54404

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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)C4=CC5=C(CCC5)C=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

InChI

InChI=1S/C22H26N6O5S/c1-24-14-23-20-19(24)21(30)28(22(31)25(20)2)13-18(29)26-8-10-27(11-9-26)34(32,33)17-7-6-15-4-3-5-16(15)12-17/h6-7,12,14H,3-5,8-11,13H2,1-2H3