8-(2-piperidin-1-ium-1-ylethylsulfanyl)-7H-purin-3-ium-6-amine

Systemtic Name: 8-(2-piperidin-1-ium-1-ylethylsulfanyl)-7H-purin-3-ium-6-amine Openeye Name: 8-(2-piperidin-1-ium-1-ylethylsulfanyl)-7H-purin-3-ium-6-amine CAS Name: 8-[2-(1-piperidin-1-iumyl)ethylthio]-7H-purin-3-ium-6-amine IUPAC Name: 8-(2-piperidin-1-ium-1-ylethylsulfanyl)-7H-purin-3-ium-6-amine Traditional Name: [8-(2-piperidin-1-ium-1-ylethylthio)-7H-purin-3-ium-6-yl]amine Formula: C12H20N6S+2 MolecularWeight: 280.3924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC3=[NH+]C=NC(=C3N2)N

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC3=[NH+]C=NC(=C3N2)N

InChI

InChI=1S/C12H18N6S/c13-10-9-11(15-8-14-10)17-12(16-9)19-7-6-18-4-2-1-3-5-18/h8H,1-7H2,(H3,13,14,15,16,17)/p+2