[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C8H14N5O12P3 MolecularWeight: 465.144343

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1COCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C8H14N5O12P3/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-22-1-2-23-27(18,19)25-28(20,21)24-26(15,16)17/h3H,1-2,4H2,(H,18,19)(H,20,21)(H2,15,16,17)(H3,9,11,12,14)