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

Systemtic Name: 8-[2-(4-methylphenoxy)ethylsulfanyl]-3-(2-phenoxyethyl)purin-6-amine Openeye Name: 8-[2-(4-methylphenoxy)ethylsulfanyl]-3-(2-phenoxyethyl)purin-6-amine CAS Name: 8-[2-(4-methylphenoxy)ethylthio]-3-(2-phenoxyethyl)-6-purinamine IUPAC Name: 8-[2-(4-methylphenoxy)ethylsulfanyl]-3-(2-phenoxyethyl)purin-6-amine Traditional Name: [8-[2-(4-methylphenoxy)ethylthio]-3-(2-phenoxyethyl)purin-6-yl]amine Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCSC2=NC3=C(N=CN(C3=N2)CCOC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)OCCSC2=NC3=C(N=CN(C3=N2)CCOC4=CC=CC=C4)N

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,11-14,23H2,1H3