[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1,1-bis(fluoranyl)-2-oxidanyl-2-phenyl-propyl]phosphonic acid

Systemtic Name: [3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1,1-bis(fluoranyl)-2-oxidanyl-2-phenyl-propyl]phosphonic acid Openeye Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-1,1-difluoro-2-hydroxy-2-phenyl-propyl]phosphonic acid CAS Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-1,1-difluoro-2-hydroxy-2-phenylpropyl]phosphonic acid IUPAC Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-1,1-difluoro-2-hydroxy-2-phenylpropyl]phosphonic acid Traditional Name: [3-(2-amino-6-keto-3H-purin-9-yl)-1,1-difluoro-2-hydroxy-2-phenyl-propyl]phosphonic acid Formula: C14H14F2N5O5P MolecularWeight: 401.262027

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN2C=NC3=C2NC(=NC3=O)N)(C(F)(F)P(=O)(O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CN2C=NC3=C2NC(=NC3=O)N)(C(F)(F)P(=O)(O)O)O

InChI

InChI=1S/C14H14F2N5O5P/c15-14(16,27(24,25)26)13(23,8-4-2-1-3-5-8)6-21-7-18-9-10(21)19-12(17)20-11(9)22/h1-5,7,23H,6H2,(H2,24,25,26)(H3,17,19,20,22)