3,9-diethyl-2,6-bis(ethylsulfanyl)purin-3-ium

Systemtic Name: 3,9-diethyl-2,6-bis(ethylsulfanyl)purin-3-ium Openeye Name: 3,9-diethyl-2,6-bis(ethylsulfanyl)purin-3-ium CAS Name: 3,9-diethyl-2,6-bis(ethylthio)purin-3-ium IUPAC Name: 3,9-diethyl-2,6-bis(ethylsulfanyl)purin-3-ium Traditional Name: 3,9-diethyl-2,6-bis(ethylthio)purin-3-ium Formula: C13H21N4S2+ MolecularWeight: 297.46264

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C(N=C([N+](=C21)CC)SCC)SCC

Isomeric SMILES

CCN1C=NC2=C(N=C([N+](=C21)CC)SCC)SCC

InChI

InChI=1S/C13H21N4S2/c1-5-16-9-14-10-11(18-7-3)15-13(19-8-4)17(6-2)12(10)16/h9H,5-8H2,1-4H3/q+1