7-ethyl-8-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-ethyl-8-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-ethyl-8-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-ethyl-8-[[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-ethyl-8-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-ethyl-8-[[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]thio]-1,3-dimethyl-xanthine Formula: C17H27N6O3S+ MolecularWeight: 395.49968

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CSC2=NC3=C(N2CC)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CSC2=NC3=C(N2CC)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H26N6O3S/c1-5-21-7-9-22(10-8-21)12(24)11-27-16-18-14-13(23(16)6-2)15(25)20(4)17(26)19(14)3/h5-11H2,1-4H3/p+1