disodium 2-azanyl-9-[2-oxidanyl-3-(phosphonatomethylamino)propyl]-3H-purin-6-one

Systemtic Name: disodium 2-azanyl-9-[2-oxidanyl-3-(phosphonatomethylamino)propyl]-3H-purin-6-one Openeye Name: disodium 2-amino-9-[2-hydroxy-3-(phosphonatomethylamino)propyl]-3H-purin-6-one CAS Name: disodium 2-amino-9-[2-hydroxy-3-(phosphonatomethylamino)propyl]-3H-purin-6-one IUPAC Name: disodium 2-amino-9-[2-hydroxy-3-(phosphonatomethylamino)propyl]-3H-purin-6-one Traditional Name: disodium 2-amino-9-[2-hydroxy-3-(phosphonatomethylamino)propyl]-3H-purin-6-one Formula: C9H13N6Na2O5P MolecularWeight: 362.190021

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(CNCP(=O)([O-])[O-])O)NC(=NC2=O)N.[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(N1CC(CNCP(=O)([O-])[O-])O)NC(=NC2=O)N.[Na+].[Na+]

InChI

InChI=1S/C9H15N6O5P.2Na/c10-9-13-7-6(8(17)14-9)12-3-15(7)2-5(16)1-11-4-21(18,19)20;;/h3,5,11,16H,1-2,4H2,(H2,18,19,20)(H3,10,13,14,17);;/q;2*+1/p-2