sodium 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethoxy-morpholin-4-yl-phosphinate

Systemtic Name: sodium 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethoxy-morpholin-4-yl-phosphinate Openeye Name: sodium 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethoxy-morpholino-phosphinate CAS Name: sodium 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethoxy-(4-morpholinyl)phosphinate IUPAC Name: sodium 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethoxy-morpholin-4-ylphosphinate Traditional Name: sodium 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethoxy-morpholino-phosphinate Formula: C13H19N5NaO6P MolecularWeight: 395.283391

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOP(=O)(N3CCOCC3)[O-].[Na+]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOP(=O)(N3CCOCC3)[O-].[Na+]

InChI

InChI=1S/C13H20N5O6P.Na/c1-15-11-10(12(19)16(2)13(15)20)17(9-14-11)3-8-24-25(21,22)18-4-6-23-7-5-18;/h9H,3-8H2,1-2H3,(H,21,22);/q;+1/p-1