8-ethylsulfanyl-3-(phenylmethyl)-7H-purin-3-ium-6-amine

Systemtic Name: 8-ethylsulfanyl-3-(phenylmethyl)-7H-purin-3-ium-6-amine Openeye Name: 3-benzyl-8-ethylsulfanyl-7H-purin-3-ium-6-amine CAS Name: 8-(ethylthio)-3-(phenylmethyl)-7H-purin-3-ium-6-amine IUPAC Name: 3-benzyl-8-ethylsulfanyl-7H-purin-3-ium-6-amine Traditional Name: [3-benzyl-8-(ethylthio)-7H-purin-3-ium-6-yl]amine Formula: C14H16N5S+ MolecularWeight: 286.37534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=[N+](C=NC(=C2N1)N)CC3=CC=CC=C3

Isomeric SMILES

CCSC1=NC2=[N+](C=NC(=C2N1)N)CC3=CC=CC=C3

InChI

InChI=1S/C14H15N5S/c1-2-20-14-17-11-12(15)16-9-19(13(11)18-14)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,15,17,18)/p+1