sodium [2-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxyamino]-2-oxidanylidene-ethyl]-ethoxy-phosphinate

Systemtic Name: sodium [2-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxyamino]-2-oxidanylidene-ethyl]-ethoxy-phosphinate Openeye Name: sodium [2-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxyamino]-2-oxo-ethyl]-ethoxy-phosphinate CAS Name: sodium [2-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxyamino]-2-oxoethyl]-ethoxyphosphinate IUPAC Name: sodium [2-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxyamino]-2-oxoethyl]-ethoxyphosphinate Traditional Name: sodium [2-[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethoxyamino]-2-keto-ethyl]-ethoxy-phosphinate Formula: C12H18N6NaO7P MolecularWeight: 412.270851

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(=O)NOCCOCN1C=NC2=C1NC(=NC2=O)N)[O-].[Na+]

Isomeric SMILES

CCOP(=O)(CC(=O)NOCCOCN1C=NC2=C1NC(=NC2=O)N)[O-].[Na+]

InChI

InChI=1S/C12H19N6O7P.Na/c1-2-25-26(21,22)5-8(19)17-24-4-3-23-7-18-6-14-9-10(18)15-12(13)16-11(9)20;/h6H,2-5,7H2,1H3,(H,17,19)(H,21,22)(H3,13,15,16,20);/q;+1/p-1