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

Systemtic Name: 1,3,9-trimethyl-8-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]sulfonyl-purine-2,6-dione Openeye Name: 1,3,9-trimethyl-8-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]sulfonyl-purine-2,6-dione CAS Name: 1,3,9-trimethyl-8-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]sulfonylpurine-2,6-dione IUPAC Name: 1,3,9-trimethyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]sulfonylpurine-2,6-dione Traditional Name: 8-[3-keto-3-(4-methylpiperazino)propyl]sulfonyl-1,3,9-trimethyl-xanthine Formula: C16H24N6O5S MolecularWeight: 412.46396

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCS(=O)(=O)C2=NC3=C(N2C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CN1CCN(CC1)C(=O)CCS(=O)(=O)C2=NC3=C(N2C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C16H24N6O5S/c1-18-6-8-22(9-7-18)11(23)5-10-28(26,27)15-17-12-13(19(15)2)20(3)16(25)21(4)14(12)24/h5-10H2,1-4H3