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

Systemtic Name: 8-(3-azanylpropylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride Openeye Name: 8-(3-aminopropylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride CAS Name: 8-(3-aminopropylthio)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride IUPAC Name: 8-(3-aminopropylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride Traditional Name: 8-(3-aminopropylthio)-1,3,7-trimethyl-7H-purin-7-ium-2,6-quinone chloride Formula: C11H18ClN5O2S MolecularWeight: 319.81092

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2=C(N=C1SCCCN)N(C(=O)N(C2=O)C)C.[Cl-]

Isomeric SMILES

C[NH+]1C2=C(N=C1SCCCN)N(C(=O)N(C2=O)C)C.[Cl-]

InChI

InChI=1S/C11H17N5O2S.ClH/c1-14-7-8(13-10(14)19-6-4-5-12)15(2)11(18)16(3)9(7)17;/h4-6,12H2,1-3H3;1H