8-[2-(4-ethoxyphenoxy)ethylsulfanyl]-9-(2-phenoxyethyl)purin-6-amine

Systemtic Name: 8-[2-(4-ethoxyphenoxy)ethylsulfanyl]-9-(2-phenoxyethyl)purin-6-amine Openeye Name: 8-[2-(4-ethoxyphenoxy)ethylsulfanyl]-9-(2-phenoxyethyl)purin-6-amine CAS Name: 8-[2-(4-ethoxyphenoxy)ethylthio]-9-(2-phenoxyethyl)-6-purinamine IUPAC Name: 8-[2-(4-ethoxyphenoxy)ethylsulfanyl]-9-(2-phenoxyethyl)purin-6-amine Traditional Name: [8-[2-(4-ethoxyphenoxy)ethylthio]-9-(2-phenoxyethyl)purin-6-yl]amine Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSC2=NC3=C(N2CCOC4=CC=CC=C4)N=CN=C3N

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSC2=NC3=C(N2CCOC4=CC=CC=C4)N=CN=C3N

InChI

InChI=1S/C23H25N5O3S/c1-2-29-18-8-10-19(11-9-18)31-14-15-32-23-27-20-21(24)25-16-26-22(20)28(23)12-13-30-17-6-4-3-5-7-17/h3-11,16H,2,12-15H2,1H3,(H2,24,25,26)