dimethyl-[2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethyl]azanium

Systemtic Name: dimethyl-[2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethyl]azanium Openeye Name: dimethyl-[2-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl]ammonium CAS Name: dimethyl-[2-[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)thio]ethyl]ammonium IUPAC Name: dimethyl-[2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium Traditional Name: 2-[(2,6-diketo-1,3,9-trimethyl-purin-8-yl)thio]ethyl-dimethyl-ammonium Formula: C12H20N5O2S+ MolecularWeight: 298.3845

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC[NH+](C)C

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC[NH+](C)C

InChI

InChI=1S/C12H19N5O2S/c1-14(2)6-7-20-11-13-8-9(15(11)3)16(4)12(19)17(5)10(8)18/h6-7H2,1-5H3/p+1