8-[(4-chlorophenyl)methylsulfanyl]-9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine

Systemtic Name: 8-[(4-chlorophenyl)methylsulfanyl]-9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine Openeye Name: 8-[(4-chlorophenyl)methylsulfanyl]-9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine CAS Name: 8-[(4-chlorophenyl)methylthio]-9-[2-(4-ethoxyphenoxy)ethyl]-6-purinamine IUPAC Name: 8-[(4-chlorophenyl)methylsulfanyl]-9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine Traditional Name: [8-[(4-chlorobenzyl)thio]-9-[2-(4-ethoxyphenoxy)ethyl]purin-6-yl]amine Formula: C22H22ClN5O2S MolecularWeight: 455.96038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN5O2S/c1-2-29-17-7-9-18(10-8-17)30-12-11-28-21-19(20(24)25-14-26-21)27-22(28)31-13-15-3-5-16(23)6-4-15/h3-10,14H,2,11-13H2,1H3,(H2,24,25,26)