1-[3-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propyl]-3,7-dimethyl-xanthine Formula: C20H26ClN6O4S+ MolecularWeight: 481.97624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCC[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCC[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H25ClN6O4S/c1-23-14-22-18-17(23)19(28)27(20(29)24(18)2)8-4-7-25-9-11-26(12-10-25)32(30,31)16-6-3-5-15(21)13-16/h3,5-6,13-14H,4,7-12H2,1-2H3/p+1