6-azanyl-9-[5-[[fluoranyl(phenylcarbonyloxy)phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]purine-2-carboxylic acid

Systemtic Name: 6-azanyl-9-[5-[[fluoranyl(phenylcarbonyloxy)phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]purine-2-carboxylic acid Openeye Name: 6-amino-9-[5-[[benzoyloxy(fluoro)phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]purine-2-carboxylic acid CAS Name: 6-amino-9-[5-[[benzoyloxy(fluoro)phosphoryl]oxymethyl]-3,4-dihydroxy-2-oxolanyl]-2-purinecarboxylic acid IUPAC Name: 6-amino-9-[5-[[benzoyloxy(fluoro)phosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]purine-2-carboxylic acid Traditional Name: 6-amino-9-[5-[[benzoyloxy(fluoro)phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]purine-2-carboxylic acid Formula: C18H17FN5O9P MolecularWeight: 497.327844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OP(=O)(OCC2C(C(C(O2)N3C=NC4=C3N=C(N=C4N)C(=O)O)O)O)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OP(=O)(OCC2C(C(C(O2)N3C=NC4=C3N=C(N=C4N)C(=O)O)O)O)F

InChI

InChI=1S/C18H17FN5O9P/c19-34(30,33-18(29)8-4-2-1-3-5-8)31-6-9-11(25)12(26)16(32-9)24-7-21-10-13(20)22-14(17(27)28)23-15(10)24/h1-5,7,9,11-12,16,25-26H,6H2,(H,27,28)(H2,20,22,23)