[2-[6-(methylamino)purin-9-yl]ethoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [2-[6-(methylamino)purin-9-yl]ethoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [hydroxy-[2-[6-(methylamino)purin-9-yl]ethoxy]phosphoryl] phosphono hydrogen phosphate CAS Name: [hydroxy-[2-[6-(methylamino)-9-purinyl]ethoxy]phosphoryl] phosphono hydrogen phosphate IUPAC Name: [hydroxy-[2-[6-(methylamino)purin-9-yl]ethoxy]phosphoryl] phosphono hydrogen phosphate Traditional Name: [hydroxy-[2-[6-(methylamino)purin-9-yl]ethoxy]phosphoryl] phosphono hydrogen phosphate Formula: C8H14N5O10P3 MolecularWeight: 433.145543

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C8H14N5O10P3/c1-9-7-6-8(11-4-10-7)13(5-12-6)2-3-21-25(17,18)23-26(19,20)22-24(14,15)16/h4-5H,2-3H2,1H3,(H,17,18)(H,19,20)(H,9,10,11)(H2,14,15,16)