[(1S,4R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-fluoranyl-cyclopent-2-en-1-yl]methylphosphonic acid

Systemtic Name: [(1S,4R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-fluoranyl-cyclopent-2-en-1-yl]methylphosphonic acid Openeye Name: [(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)-3-fluoro-cyclopent-2-en-1-yl]methylphosphonic acid CAS Name: [(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)-3-fluoro-1-cyclopent-2-enyl]methylphosphonic acid IUPAC Name: [(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)-3-fluorocyclopent-2-en-1-yl]methylphosphonic acid Traditional Name: [(1S,4R)-4-(2-amino-6-keto-3H-purin-9-yl)-3-fluoro-cyclopent-2-en-1-yl]methylphosphonic acid Formula: C11H13FN5O4P MolecularWeight: 329.224184

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=C(C1N2C=NC3=C2NC(=NC3=O)N)F)CP(=O)(O)O

Isomeric SMILES

C1[C@@H](C=C([C@@H]1N2C=NC3=C2NC(=NC3=O)N)F)CP(=O)(O)O

InChI

InChI=1S/C11H13FN5O4P/c12-6-1-5(3-22(19,20)21)2-7(6)17-4-14-8-9(17)15-11(13)16-10(8)18/h1,4-5,7H,2-3H2,(H2,19,20,21)(H3,13,15,16,18)/t5-,7-/m1/s1