8-[4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazin-1-yl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazin-1-yl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazin-1-yl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[4-[4-(1-azepanylsulfonyl)phenyl]sulfonyl-1-piperazinyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazin-1-yl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazino]-1,3,7-trimethyl-xanthine Formula: C24H33N7O6S2 MolecularWeight: 579.69212

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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)N5CCCCCC5)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)N5CCCCCC5)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C24H33N7O6S2/c1-26-20-21(27(2)24(33)28(3)22(20)32)25-23(26)29-14-16-31(17-15-29)39(36,37)19-10-8-18(9-11-19)38(34,35)30-12-6-4-5-7-13-30/h8-11H,4-7,12-17H2,1-3H3