disodium 2-azanyl-9-(phosphonatomethoxymethoxymethyl)-3H-purin-6-one

Systemtic Name: disodium 2-azanyl-9-(phosphonatomethoxymethoxymethyl)-3H-purin-6-one Openeye Name: disodium 2-amino-9-(phosphonatomethoxymethoxymethyl)-3H-purin-6-one CAS Name: disodium 2-amino-9-(phosphonatomethoxymethoxymethyl)-3H-purin-6-one IUPAC Name: disodium 2-amino-9-(phosphonatomethoxymethoxymethyl)-3H-purin-6-one Traditional Name: disodium 2-amino-9-(phosphonatomethoxymethoxymethyl)-3H-purin-6-one Formula: C8H10N5Na2O6P MolecularWeight: 349.148201

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCOCP(=O)([O-])[O-])NC(=NC2=O)N.[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(N1COCOCP(=O)([O-])[O-])NC(=NC2=O)N.[Na+].[Na+]

InChI

InChI=1S/C8H12N5O6P.2Na/c9-8-11-6-5(7(14)12-8)10-1-13(6)2-18-3-19-4-20(15,16)17;;/h1H,2-4H2,(H2,15,16,17)(H3,9,11,12,14);;/q;2*+1/p-2