1,3,9-trimethyl-8-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)sulfonyl-purine-2,6-dione

Systemtic Name: 1,3,9-trimethyl-8-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)sulfonyl-purine-2,6-dione Openeye Name: 1,3,9-trimethyl-8-(3-oxo-3-pyrrolidin-1-yl-propyl)sulfonyl-purine-2,6-dione CAS Name: 1,3,9-trimethyl-8-[3-oxo-3-(1-pyrrolidinyl)propyl]sulfonylpurine-2,6-dione IUPAC Name: 1,3,9-trimethyl-8-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfonylpurine-2,6-dione Traditional Name: 8-(3-keto-3-pyrrolidino-propyl)sulfonyl-1,3,9-trimethyl-xanthine Formula: C15H21N5O5S MolecularWeight: 383.42274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)CCC(=O)N3CCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)CCC(=O)N3CCCC3

InChI

InChI=1S/C15H21N5O5S/c1-17-12-11(13(22)19(3)15(23)18(12)2)16-14(17)26(24,25)9-6-10(21)20-7-4-5-8-20/h4-9H2,1-3H3