disodium 2-azanyl-9-[[2-oxidanyl-1-(phosphonatomethoxy)ethoxy]methyl]-3H-purin-6-one

Systemtic Name: disodium 2-azanyl-9-[[2-oxidanyl-1-(phosphonatomethoxy)ethoxy]methyl]-3H-purin-6-one Openeye Name: disodium 2-amino-9-[[2-hydroxy-1-(phosphonatomethoxy)ethoxy]methyl]-3H-purin-6-one CAS Name: disodium 2-amino-9-[[2-hydroxy-1-(phosphonatomethoxy)ethoxy]methyl]-3H-purin-6-one IUPAC Name: disodium 2-amino-9-[[2-hydroxy-1-(phosphonatomethoxy)ethoxy]methyl]-3H-purin-6-one Traditional Name: disodium 2-amino-9-[[2-hydroxy-1-(phosphonatomethoxy)ethoxy]methyl]-3H-purin-6-one Formula: C9H12N5Na2O7P MolecularWeight: 379.174181

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COC(CO)OCP(=O)([O-])[O-])NC(=NC2=O)N.[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(N1COC(CO)OCP(=O)([O-])[O-])NC(=NC2=O)N.[Na+].[Na+]

InChI

InChI=1S/C9H14N5O7P.2Na/c10-9-12-7-6(8(16)13-9)11-2-14(7)3-20-5(1-15)21-4-22(17,18)19;;/h2,5,15H,1,3-4H2,(H2,17,18,19)(H3,10,12,13,16);;/q;2*+1/p-2