9-cyclopentyl-6-(pyridin-2-ylmethylsulfanyl)-7H-purin-9-ium-2-amine

Systemtic Name: 9-cyclopentyl-6-(pyridin-2-ylmethylsulfanyl)-7H-purin-9-ium-2-amine Openeye Name: 9-cyclopentyl-6-(2-pyridylmethylsulfanyl)-7H-purin-9-ium-2-amine CAS Name: 9-cyclopentyl-6-(2-pyridinylmethylthio)-7H-purin-9-ium-2-amine IUPAC Name: 9-cyclopentyl-6-(pyridin-2-ylmethylsulfanyl)-7H-purin-9-ium-2-amine Traditional Name: [9-cyclopentyl-6-(2-pyridylmethylthio)-7H-purin-9-ium-2-yl]amine Formula: C16H19N6S+ MolecularWeight: 327.42726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[N+]2=CNC3=C2N=C(N=C3SCC4=CC=CC=N4)N

Isomeric SMILES

C1CCC(C1)[N+]2=CNC3=C2N=C(N=C3SCC4=CC=CC=N4)N

InChI

InChI=1S/C16H18N6S/c17-16-20-14-13(19-10-22(14)12-6-1-2-7-12)15(21-16)23-9-11-5-3-4-8-18-11/h3-5,8,10,12H,1-2,6-7,9H2,(H2,17,20,21)/p+1