2-[6-(phenylmethylsulfanyl)-7H-purin-9-ium-9-yl]ethanol

Systemtic Name: 2-[6-(phenylmethylsulfanyl)-7H-purin-9-ium-9-yl]ethanol Openeye Name: 2-(6-benzylsulfanyl-7H-purin-9-ium-9-yl)ethanol CAS Name: 2-[6-(phenylmethylthio)-7H-purin-9-ium-9-yl]ethanol IUPAC Name: 2-(6-benzylsulfanyl-7H-purin-9-ium-9-yl)ethanol Traditional Name: 2-[6-(benzylthio)-7H-purin-9-ium-9-yl]ethanol Formula: C14H15N4OS+ MolecularWeight: 287.3601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=NC3=C2NC=[N+]3CCO

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=C2NC=[N+]3CCO

InChI

InChI=1S/C14H14N4OS/c19-7-6-18-10-17-12-13(18)15-9-16-14(12)20-8-11-4-2-1-3-5-11/h1-5,9-10,19H,6-8H2/p+1