2-azanyl-9-[[1-[1,1,1,5,5,5-hexakis(fluoranyl)-3-phosphonato-pentan-3-yl]oxycyclopropyl]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[1-[1,1,1,5,5,5-hexakis(fluoranyl)-3-phosphonato-pentan-3-yl]oxycyclopropyl]methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-[3,3,3-trifluoro-1-phosphonato-1-(2,2,2-trifluoroethyl)propoxy]cyclopropyl]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[1-(1,1,1,5,5,5-hexafluoro-3-phosphonatopentan-3-yl)oxycyclopropyl]methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[1-(1,1,1,5,5,5-hexafluoro-3-phosphonatopentan-3-yl)oxycyclopropyl]methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-[3,3,3-trifluoro-1-phosphonato-1-(2,2,2-trifluoroethyl)propoxy]cyclopropyl]methyl]-3H-purin-6-one Formula: C14H14F6N5O5P-2 MolecularWeight: 477.25564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CN2C=NC3=C2NC(=NC3=O)N)OC(CC(F)(F)F)(CC(F)(F)F)P(=O)([O-])[O-]

Isomeric SMILES

C1CC1(CN2C=NC3=C2NC(=NC3=O)N)OC(CC(F)(F)F)(CC(F)(F)F)P(=O)([O-])[O-]

InChI

InChI=1S/C14H16F6N5O5P/c15-13(16,17)3-12(31(27,28)29,4-14(18,19)20)30-11(1-2-11)5-25-6-22-7-8(25)23-10(21)24-9(7)26/h6H,1-5H2,(H2,27,28,29)(H3,21,23,24,26)/p-2