1,3,7-trimethyl-8-[4-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperazin-1-yl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[4-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperazin-1-yl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[4-[4-(1-piperidylsulfonyl)phenyl]sulfonylpiperazin-1-yl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[4-[4-(1-piperidinylsulfonyl)phenyl]sulfonyl-1-piperazinyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[4-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperazin-1-yl]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[4-(4-piperidinosulfonylphenyl)sulfonylpiperazino]xanthine Formula: C23H31N7O6S2 MolecularWeight: 565.66554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H31N7O6S2/c1-25-19-20(26(2)23(32)27(3)21(19)31)24-22(25)28-13-15-30(16-14-28)38(35,36)18-9-7-17(8-10-18)37(33,34)29-11-5-4-6-12-29/h7-10H,4-6,11-16H2,1-3H3