8-[2-(4-methylphenoxy)ethylsulfanyl]-3-(2-phenoxyethyl)-7H-purin-3-ium-6-amine

Systemtic Name: 8-[2-(4-methylphenoxy)ethylsulfanyl]-3-(2-phenoxyethyl)-7H-purin-3-ium-6-amine Openeye Name: 8-[2-(4-methylphenoxy)ethylsulfanyl]-3-(2-phenoxyethyl)-7H-purin-3-ium-6-amine CAS Name: 8-[2-(4-methylphenoxy)ethylthio]-3-(2-phenoxyethyl)-7H-purin-3-ium-6-amine IUPAC Name: 8-[2-(4-methylphenoxy)ethylsulfanyl]-3-(2-phenoxyethyl)-7H-purin-3-ium-6-amine Traditional Name: [8-[2-(4-methylphenoxy)ethylthio]-3-(2-phenoxyethyl)-7H-purin-3-ium-6-yl]amine Formula: C22H24N5O2S+ MolecularWeight: 422.52326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCSC2=NC3=[N+](C=NC(=C3N2)N)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)OCCSC2=NC3=[N+](C=NC(=C3N2)N)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2S/c1-16-7-9-18(10-8-16)29-13-14-30-22-25-19-20(23)24-15-27(21(19)26-22)11-12-28-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H2,23,25,26)/p+1