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

Systemtic Name: [2-(6-aminopurin-9-yl)ethoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [2-(6-aminopurin-9-yl)ethoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [2-(6-aminopurin-9-yl)ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [2-(6-aminopurin-9-yl)ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [2-adenin-9-ylethoxy(hydroxy)phosphoryl] phosphono hydrogen phosphate Formula: C7H12N5O10P3 MolecularWeight: 419.118963

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C7H12N5O10P3/c8-6-5-7(10-3-9-6)12(4-11-5)1-2-20-24(16,17)22-25(18,19)21-23(13,14)15/h3-4H,1-2H2,(H,16,17)(H,18,19)(H2,8,9,10)(H2,13,14,15)