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

Systemtic Name: diethyl-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethyl]azanium chloride Openeye Name: diethyl-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl]ammonium chloride CAS Name: diethyl-[2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]ethyl]ammonium chloride IUPAC Name: diethyl-[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-diethyl-ammonium chloride Formula: C14H24ClN5O2S MolecularWeight: 361.89066

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C.[Cl-]

InChI

InChI=1S/C14H23N5O2S.ClH/c1-6-19(7-2)8-9-22-13-15-11-10(16(13)3)12(20)18(5)14(21)17(11)4;/h6-9H2,1-5H3;1H