3-[2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]ethanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]ethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]acetyl]amino]propyl-dimethyl-ammonium Formula: C14H23N6O3S+ MolecularWeight: 355.43582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)NCCC[NH+](C)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)NCCC[NH+](C)C

InChI

InChI=1S/C14H22N6O3S/c1-18(2)7-5-6-15-9(21)8-24-13-16-10-11(17-13)19(3)14(23)20(4)12(10)22/h5-8H2,1-4H3,(H,15,21)(H,16,17)/p+1