[3-(6-aminopurin-9-yl)propoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [3-(6-aminopurin-9-yl)propoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [3-(6-aminopurin-9-yl)propoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [3-(6-aminopurin-9-yl)propoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [3-(6-aminopurin-9-yl)propoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [3-adenin-9-ylpropoxy(hydroxy)phosphoryl] phosphono hydrogen phosphate Formula: C8H14N5O10P3 MolecularWeight: 433.145543

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C8H14N5O10P3/c9-7-6-8(11-4-10-7)13(5-12-6)2-1-3-21-25(17,18)23-26(19,20)22-24(14,15)16/h4-5H,1-3H2,(H,17,18)(H,19,20)(H2,9,10,11)(H2,14,15,16)