[[(2R,3S,4R,5R)-5-(4-aminocarbonyl-3H-1,2,3-thiadiazol-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-(4-aminocarbonyl-3H-1,2,3-thiadiazol-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [[5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-3H-thiadiazol-2-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [[5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-3H-thiadiazol-2-yl)-3,4-dihydroxy-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [[5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-3H-thiadiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate Traditional Name: [(5-adenin-9-yl-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-3H-thiadiazol-2-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C18H25FN8O13P2S MolecularWeight: 674.447825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NN(S1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)F)O)O)O)C(=O)N

Isomeric SMILES

C1=C(NN(S1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)F)O)O)O)C(=O)N

InChI

InChI=1S/C18H25FN8O13P2S/c19-9-11(28)7(38-17(9)26-5-24-10-14(20)22-4-23-16(10)26)1-36-41(32,33)40-42(34,35)37-2-8-12(29)13(30)18(39-8)27-25-6(3-43-27)15(21)31/h3-5,7-9,11-13,17-18,25,28-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7?,8-,9?,11?,12-,13-,17?,18-/m1/s1