8-(2-azanylethylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride

Systemtic Name: 8-(2-azanylethylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride Openeye Name: 8-(2-aminoethylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride CAS Name: 8-(2-aminoethylthio)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride IUPAC Name: 8-(2-aminoethylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride Traditional Name: 8-(2-aminoethylthio)-1,3,7-trimethyl-7H-purin-7-ium-2,6-quinone chloride Formula: C10H16ClN5O2S MolecularWeight: 305.78434

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2=C(N=C1SCCN)N(C(=O)N(C2=O)C)C.[Cl-]

Isomeric SMILES

C[NH+]1C2=C(N=C1SCCN)N(C(=O)N(C2=O)C)C.[Cl-]

InChI

InChI=1S/C10H15N5O2S.ClH/c1-13-6-7(12-9(13)18-5-4-11)14(2)10(17)15(3)8(6)16;/h4-5,11H2,1-3H3;1H