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

Systemtic Name: 1,3,9-trimethyl-8-(3-oxidanylidene-3-piperidin-1-yl-propyl)sulfonyl-purine-2,6-dione Openeye Name: 1,3,9-trimethyl-8-[3-oxo-3-(1-piperidyl)propyl]sulfonyl-purine-2,6-dione CAS Name: 1,3,9-trimethyl-8-[3-oxo-3-(1-piperidinyl)propyl]sulfonylpurine-2,6-dione IUPAC Name: 1,3,9-trimethyl-8-(3-oxo-3-piperidin-1-ylpropyl)sulfonylpurine-2,6-dione Traditional Name: 8-(3-keto-3-piperidino-propyl)sulfonyl-1,3,9-trimethyl-xanthine Formula: C16H23N5O5S MolecularWeight: 397.44932

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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)N3CCCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)CCC(=O)N3CCCCC3

InChI

InChI=1S/C16H23N5O5S/c1-18-13-12(14(23)20(3)16(24)19(13)2)17-15(18)27(25,26)10-7-11(22)21-8-5-4-6-9-21/h4-10H2,1-3H3