disodium N-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy]-2-phosphonato-ethanamide

Systemtic Name: disodium N-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy]-2-phosphonato-ethanamide Openeye Name: disodium N-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-2-phosphonato-acetamide CAS Name: disodium N-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-2-phosphonatoacetamide IUPAC Name: disodium N-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy]-2-phosphonatoacetamide Traditional Name: disodium N-[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethoxy]-2-phosphonato-acetamide Formula: C10H13N6Na2O7P MolecularWeight: 406.199521

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCONC(=O)CP(=O)([O-])[O-])NC(=NC2=O)N.[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(N1COCCONC(=O)CP(=O)([O-])[O-])NC(=NC2=O)N.[Na+].[Na+]

InChI

InChI=1S/C10H15N6O7P.2Na/c11-10-13-8-7(9(18)14-10)12-4-16(8)5-22-1-2-23-15-6(17)3-24(19,20)21;;/h4H,1-3,5H2,(H,15,17)(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2