9-[2-[bis[2,2,2-tris(fluoranyl)ethoxy]phosphorylmethoxy]ethyl]-6-phenylsulfanyl-purin-2-amine

Systemtic Name: 9-[2-[bis[2,2,2-tris(fluoranyl)ethoxy]phosphorylmethoxy]ethyl]-6-phenylsulfanyl-purin-2-amine Openeye Name: 9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-phenylsulfanyl-purin-2-amine CAS Name: 9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-(phenylthio)-2-purinamine IUPAC Name: 9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-phenylsulfanylpurin-2-amine Traditional Name: [9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-(phenylthio)purin-2-yl]amine Formula: C18H18F6N5O4PS MolecularWeight: 545.3958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC(=NC3=C2N=CN3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC(=NC3=C2N=CN3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)N

InChI

InChI=1S/C18H18F6N5O4PS/c19-17(20,21)8-32-34(30,33-9-18(22,23)24)11-31-7-6-29-10-26-13-14(29)27-16(25)28-15(13)35-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,25,27,28)