[2-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methylsulfanyl]-2-oxidanylidene-ethyl]-trimethyl-azanium

Systemtic Name: [2-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methylsulfanyl]-2-oxidanylidene-ethyl]-trimethyl-azanium Openeye Name: [2-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methylsulfanyl]-2-oxo-ethyl]-trimethyl-ammonium CAS Name: [2-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methylthio]-2-oxoethyl]-trimethylammonium IUPAC Name: [2-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methylsulfanyl]-2-oxoethyl]-trimethylazanium Traditional Name: [2-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methylthio]-2-keto-ethyl]-trimethyl-ammonium Formula: C13H20N5O3S+ MolecularWeight: 326.3946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CSC(=O)C[N+](C)(C)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CSC(=O)C[N+](C)(C)C

InChI

InChI=1S/C13H20N5O3S/c1-15-11-10(12(20)16(2)13(15)21)17(7-14-11)8-22-9(19)6-18(3,4)5/h7H,6,8H2,1-5H3/q+1