1,3,9-trimethyl-8-[3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propyl]sulfonyl-purine-2,6-dione

Systemtic Name: 1,3,9-trimethyl-8-[3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propyl]sulfonyl-purine-2,6-dione Openeye Name: 8-[3-(4-benzyl-1-piperidyl)-3-oxo-propyl]sulfonyl-1,3,9-trimethyl-purine-2,6-dione CAS Name: 1,3,9-trimethyl-8-[3-oxo-3-[4-(phenylmethyl)-1-piperidinyl]propyl]sulfonylpurine-2,6-dione IUPAC Name: 8-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]sulfonyl-1,3,9-trimethylpurine-2,6-dione Traditional Name: 8-[3-(4-benzylpiperidino)-3-keto-propyl]sulfonyl-1,3,9-trimethyl-xanthine Formula: C23H29N5O5S MolecularWeight: 487.57186

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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)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O5S/c1-25-20-19(21(30)27(3)23(31)26(20)2)24-22(25)34(32,33)14-11-18(29)28-12-9-17(10-13-28)15-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3