sodium [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] hydrogen phosphate

Systemtic Name: sodium [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] hydrogen phosphate Openeye Name: sodium [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] hydrogen phosphate CAS Name: sodium [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] hydrogen phosphate IUPAC Name: sodium [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] hydrogen phosphate Traditional Name: sodium [4-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-butyl] hydrogen phosphate Formula: C10H15N5NaO6P MolecularWeight: 355.219531

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(CO)COP(=O)(O)[O-])NC(=NC2=O)N.[Na+]

Isomeric SMILES

C1=NC2=C(N1CCC(CO)COP(=O)(O)[O-])NC(=NC2=O)N.[Na+]

InChI

InChI=1S/C10H16N5O6P.Na/c11-10-13-8-7(9(17)14-10)12-5-15(8)2-1-6(3-16)4-21-22(18,19)20;/h5-6,16H,1-4H2,(H2,18,19,20)(H3,11,13,14,17);/q;+1/p-1