[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-oxidanylidene-pentanoate

Systemtic Name: [[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-oxidanylidene-pentanoate Openeye Name: [[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-oxo-pentanoate CAS Name: 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid [[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] ester IUPAC Name: [[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate Traditional Name: 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-keto-valeric acid [[[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] ester Formula: C23H38N9O18P3 MolecularWeight: 821.518603

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC(=O)CCCC(=O)NCCOCCOCCOCCN=[N+]=[N-])O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC(=O)CCCC(=O)NCCOCCOCCOCCN=[N+]=[N-])O)O

InChI

InChI=1S/C23H38N9O18P3/c24-21-18-22(28-13-27-21)32(14-29-18)23-20(36)19(35)15(47-23)12-46-51(37,38)49-53(41,42)50-52(39,40)48-17(34)3-1-2-16(33)26-4-6-43-8-10-45-11-9-44-7-5-30-31-25/h13-15,19-20,23,35-36H,1-12H2,(H,26,33)(H,37,38)(H,39,40)(H,41,42)(H2,24,27,28)