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

Systemtic Name: 8-[2-(4-chloranylphenoxy)ethylsulfanyl]-9-(2-phenoxyethyl)purin-6-amine Openeye Name: 8-[2-(4-chlorophenoxy)ethylsulfanyl]-9-(2-phenoxyethyl)purin-6-amine CAS Name: 8-[2-(4-chlorophenoxy)ethylthio]-9-(2-phenoxyethyl)-6-purinamine IUPAC Name: 8-[2-(4-chlorophenoxy)ethylsulfanyl]-9-(2-phenoxyethyl)purin-6-amine Traditional Name: [8-[2-(4-chlorophenoxy)ethylthio]-9-(2-phenoxyethyl)purin-6-yl]amine Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCCOC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN5O2S/c22-15-6-8-17(9-7-15)29-12-13-30-21-26-18-19(23)24-14-25-20(18)27(21)10-11-28-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H2,23,24,25)