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

Systemtic Name: 9-[2-[bis[2,2,2-tris(fluoranyl)ethoxy]phosphorylmethoxy]ethyl]-6-chloranyl-purin-2-amine Openeye Name: 9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-chloro-purin-2-amine CAS Name: 9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-chloro-2-purinamine IUPAC Name: 9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-chloropurin-2-amine Traditional Name: [9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-chloro-purin-2-yl]amine Formula: C12H13ClF6N5O4P MolecularWeight: 471.6799

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)N=C(N=C2Cl)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)N=C(N=C2Cl)N

InChI

InChI=1S/C12H13ClF6N5O4P/c13-8-7-9(23-10(20)22-8)24(5-21-7)1-2-26-6-29(25,27-3-11(14,15)16)28-4-12(17,18)19/h5H,1-4,6H2,(H2,20,22,23)