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

Systemtic Name: 8-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-[[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]thio]-1,3-dimethyl-7-propyl-xanthine Formula: C18H29N6O3S+ MolecularWeight: 409.52626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)N3CC[NH+](CC3)CC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)N3CC[NH+](CC3)CC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H28N6O3S/c1-5-7-24-14-15(20(3)18(27)21(4)16(14)26)19-17(24)28-12-13(25)23-10-8-22(6-2)9-11-23/h5-12H2,1-4H3/p+1