9-ethyl-3-methyl-2,6-bis(methylsulfanyl)purin-3-ium

Systemtic Name: 9-ethyl-3-methyl-2,6-bis(methylsulfanyl)purin-3-ium Openeye Name: 9-ethyl-3-methyl-2,6-bis(methylsulfanyl)purin-3-ium CAS Name: 9-ethyl-3-methyl-2,6-bis(methylthio)purin-3-ium IUPAC Name: 9-ethyl-3-methyl-2,6-bis(methylsulfanyl)purin-3-ium Traditional Name: 9-ethyl-3-methyl-2,6-bis(methylthio)purin-3-ium Formula: C10H15N4S2+ MolecularWeight: 255.3829

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C(N=C([N+](=C21)C)SC)SC

Isomeric SMILES

CCN1C=NC2=C(N=C([N+](=C21)C)SC)SC

InChI

InChI=1S/C10H15N4S2/c1-5-14-6-11-7-8(15-3)12-10(16-4)13(2)9(7)14/h6H,5H2,1-4H3/q+1