[3-[1-[(2-azanyl-6-phenylsulfanyl-purin-9-yl)methyl]cyclopropyl]oxy-1,1,1,5,5,5-hexakis(fluoranyl)pentan-3-yl]phosphonic acid

Systemtic Name: [3-[1-[(2-azanyl-6-phenylsulfanyl-purin-9-yl)methyl]cyclopropyl]oxy-1,1,1,5,5,5-hexakis(fluoranyl)pentan-3-yl]phosphonic acid Openeye Name: [1-[1-[(2-amino-6-phenylsulfanyl-purin-9-yl)methyl]cyclopropoxy]-3,3,3-trifluoro-1-(2,2,2-trifluoroethyl)propyl]phosphonic acid CAS Name: [3-[1-[[2-amino-6-(phenylthio)-9-purinyl]methyl]cyclopropyl]oxy-1,1,1,5,5,5-hexafluoropentan-3-yl]phosphonic acid IUPAC Name: [3-[1-[(2-amino-6-phenylsulfanylpurin-9-yl)methyl]cyclopropyl]oxy-1,1,1,5,5,5-hexafluoropentan-3-yl]phosphonic acid Traditional Name: [1-[1-[[2-amino-6-(phenylthio)purin-9-yl]methyl]cyclopropoxy]-3,3,3-trifluoro-1-(2,2,2-trifluoroethyl)propyl]phosphonic acid Formula: C20H20F6N5O4PS MolecularWeight: 571.43308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CN2C=NC3=C2N=C(N=C3SC4=CC=CC=C4)N)OC(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O

Isomeric SMILES

C1CC1(CN2C=NC3=C2N=C(N=C3SC4=CC=CC=C4)N)OC(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O

InChI

InChI=1S/C20H20F6N5O4PS/c21-19(22,23)8-18(36(32,33)34,9-20(24,25)26)35-17(6-7-17)10-31-11-28-13-14(31)29-16(27)30-15(13)37-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H2,27,29,30)(H2,32,33,34)