8-[2-(2-fluoranylphenoxy)ethylsulfanyl]-3-(phenylmethyl)purin-6-amine

Systemtic Name: 8-[2-(2-fluoranylphenoxy)ethylsulfanyl]-3-(phenylmethyl)purin-6-amine Openeye Name: 3-benzyl-8-[2-(2-fluorophenoxy)ethylsulfanyl]purin-6-amine CAS Name: 8-[2-(2-fluorophenoxy)ethylthio]-3-(phenylmethyl)-6-purinamine IUPAC Name: 3-benzyl-8-[2-(2-fluorophenoxy)ethylsulfanyl]purin-6-amine Traditional Name: [3-benzyl-8-[2-(2-fluorophenoxy)ethylthio]purin-6-yl]amine Formula: C20H18FN5OS MolecularWeight: 395.453223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=C3C2=NC(=N3)SCCOC4=CC=CC=C4F)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=C3C2=NC(=N3)SCCOC4=CC=CC=C4F)N

InChI

InChI=1S/C20H18FN5OS/c21-15-8-4-5-9-16(15)27-10-11-28-20-24-17-18(22)23-13-26(19(17)25-20)12-14-6-2-1-3-7-14/h1-9,13H,10-12,22H2