[[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: [[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: [[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate CAS Name: [[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate IUPAC Name: [[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate Traditional Name: [[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate Formula: C8H10N5O12P3-4 MolecularWeight: 461.112583

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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)/p-4