3,7-dimethyl-2,6-bis(methylsulfanyl)purin-3-ium

Systemtic Name: 3,7-dimethyl-2,6-bis(methylsulfanyl)purin-3-ium Openeye Name: 3,7-dimethyl-2,6-bis(methylsulfanyl)purin-3-ium CAS Name: 3,7-dimethyl-2,6-bis(methylthio)purin-3-ium IUPAC Name: 3,7-dimethyl-2,6-bis(methylsulfanyl)purin-3-ium Traditional Name: 3,7-dimethyl-2,6-bis(methylthio)purin-3-ium Formula: C9H13N4S2+ MolecularWeight: 241.35632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=NC(=[N+]2C)SC)SC

Isomeric SMILES

CN1C=NC2=C1C(=NC(=[N+]2C)SC)SC

InChI

InChI=1S/C9H13N4S2/c1-12-5-10-7-6(12)8(14-3)11-9(15-4)13(7)2/h5H,1-4H3/q+1