[[(2R,3S,4R,5R)-5-[6-[(4-fluorophenyl)carbonylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-[6-[(4-fluorophenyl)carbonylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-[6-[(4-fluorobenzoyl)amino]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-[6-[[(4-fluorophenyl)-oxomethyl]amino]-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-[6-[(4-fluorobenzoyl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-[6-[(4-fluorobenzoyl)amino]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C17H19FN5O14P3 MolecularWeight: 629.277546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F

InChI

InChI=1S/C17H19FN5O14P3/c18-9-3-1-8(2-4-9)16(26)22-14-11-15(20-6-19-14)23(7-21-11)17-13(25)12(24)10(35-17)5-34-39(30,31)37-40(32,33)36-38(27,28)29/h1-4,6-7,10,12-13,17,24-25H,5H2,(H,30,31)(H,32,33)(H2,27,28,29)(H,19,20,22,26)/t10-,12-,13-,17-/m1/s1