sodium [2-[1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propyl] dihydrogen phosphate

Systemtic Name: sodium [2-[1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propyl] dihydrogen phosphate Openeye Name: sodium [2-[1-(2-amino-6-oxo-3H-purin-9-yl)-2-oxo-ethoxy]-3-oxo-propyl] dihydrogen phosphate CAS Name: sodium [2-[1-(2-amino-6-oxo-3H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl] dihydrogen phosphate IUPAC Name: sodium [2-[1-(2-amino-6-oxo-3H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl] dihydrogen phosphate Traditional Name: sodium [2-[1-(2-amino-6-keto-3H-purin-9-yl)-2-keto-ethoxy]-3-keto-propyl] dihydrogen phosphate Formula: C10H12N5NaO8P+ MolecularWeight: 384.194511

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C(C=O)OC(COP(=O)(O)O)C=O)NC(=NC2=O)N.[Na+]

Isomeric SMILES

C1=NC2=C(N1C(C=O)OC(COP(=O)(O)O)C=O)NC(=NC2=O)N.[Na+]

InChI

InChI=1S/C10H12N5O8P.Na/c11-10-13-8-7(9(18)14-10)12-4-15(8)6(2-17)23-5(1-16)3-22-24(19,20)21;/h1-2,4-6H,3H2,(H2,19,20,21)(H3,11,13,14,18);/q;+1