[(Z)-3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1-fluoranyl-2-phenyl-prop-1-enyl]phosphonic acid

Systemtic Name: [(Z)-3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1-fluoranyl-2-phenyl-prop-1-enyl]phosphonic acid Openeye Name: [(Z)-3-(2-amino-6-oxo-3H-purin-9-yl)-1-fluoro-2-phenyl-prop-1-enyl]phosphonic acid CAS Name: [(Z)-3-(2-amino-6-oxo-3H-purin-9-yl)-1-fluoro-2-phenylprop-1-enyl]phosphonic acid IUPAC Name: [(Z)-3-(2-amino-6-oxo-3H-purin-9-yl)-1-fluoro-2-phenylprop-1-enyl]phosphonic acid Traditional Name: [(Z)-3-(2-amino-6-keto-3H-purin-9-yl)-1-fluoro-2-phenyl-prop-1-enyl]phosphonic acid Formula: C14H13FN5O4P MolecularWeight: 365.256284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13FN5O4P/c15-11(25(22,23)24)9(8-4-2-1-3-5-8)6-20-7-17-10-12(20)18-14(16)19-13(10)21/h1-5,7H,6H2,(H2,22,23,24)(H3,16,18,19,21)/b11-9+