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

Systemtic Name: 3-(phenylmethyl)-8-(phenylmethylsulfanyl)-7H-purin-3-ium-6-amine Openeye Name: 3-benzyl-8-benzylsulfanyl-7H-purin-3-ium-6-amine CAS Name: 3-(phenylmethyl)-8-(phenylmethylthio)-7H-purin-3-ium-6-amine IUPAC Name: 3-benzyl-8-benzylsulfanyl-7H-purin-3-ium-6-amine Traditional Name: [3-benzyl-8-(benzylthio)-7H-purin-3-ium-6-yl]amine Formula: C19H18N5S+ MolecularWeight: 348.44472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C3C(=C(N=C2)N)NC(=N3)SCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C3C(=C(N=C2)N)NC(=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C19H17N5S/c20-17-16-18(24(13-21-17)11-14-7-3-1-4-8-14)23-19(22-16)25-12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H2,20,22,23)/p+1