dimethyl-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethyl]azanium chloride

Systemtic Name: dimethyl-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethyl]azanium chloride Openeye Name: dimethyl-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl]ammonium chloride CAS Name: dimethyl-[2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]ethyl]ammonium chloride IUPAC Name: dimethyl-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]azanium chloride Traditional Name: 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]ethyl-dimethyl-ammonium chloride Formula: C12H20ClN5O2S MolecularWeight: 333.8375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC[NH+](C)C)N(C(=O)N(C2=O)C)C.[Cl-]

Isomeric SMILES

CN1C2=C(N=C1SCC[NH+](C)C)N(C(=O)N(C2=O)C)C.[Cl-]

InChI

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