[(2R,3S,4R,5R)-5-[6-azanyl-2-[3,3,3-tris(fluoranyl)propylsulfanyl]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-[6-azanyl-2-[3,3,3-tris(fluoranyl)propylsulfanyl]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-[6-amino-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-[6-amino-2-(3,3,3-trifluoropropylthio)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-[6-amino-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-[6-amino-2-(3,3,3-trifluoropropylthio)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C13H17F3N5O7PS MolecularWeight: 475.337351

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(N=C2N)SCCC(F)(F)F

Isomeric SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(N=C2N)SCCC(F)(F)F

InChI

InChI=1S/C13H17F3N5O7PS/c14-13(15,16)1-2-30-12-19-9(17)6-10(20-12)21(4-18-6)11-8(23)7(22)5(28-11)3-27-29(24,25)26/h4-5,7-8,11,22-23H,1-3H2,(H2,17,19,20)(H2,24,25,26)/t5-,7-,8-,11-/m1/s1