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

Systemtic Name: diethyl-[2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethyl]azanium Openeye Name: diethyl-[2-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl]ammonium CAS Name: diethyl-[2-[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)thio]ethyl]ammonium IUPAC Name: diethyl-[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-diethyl-ammonium Formula: C14H24N5O2S+ MolecularWeight: 326.43766

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC[NH+](CC)CCSC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C

InChI

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