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

Systemtic Name: [2-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methylsulfanyl]-2-oxidanylidene-ethyl]-triethyl-azanium Openeye Name: [2-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methylsulfanyl]-2-oxo-ethyl]-triethyl-ammonium CAS Name: [2-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methylthio]-2-oxoethyl]-triethylammonium IUPAC Name: [2-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methylsulfanyl]-2-oxoethyl]-triethylazanium Traditional Name: [2-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methylthio]-2-keto-ethyl]-triethyl-ammonium Formula: C16H26N5O3S+ MolecularWeight: 368.47434

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC(=O)SCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC[N+](CC)(CC)CC(=O)SCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H26N5O3S/c1-6-21(7-2,8-3)9-12(22)25-11-20-10-17-14-13(20)15(23)19(5)16(24)18(14)4/h10H,6-9,11H2,1-5H3/q+1