barium(2+); 2-chloranyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; phosphate

Systemtic Name: barium(2+); 2-chloranyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; phosphate Openeye Name: barium(2+); 2-chloro-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; phosphate CAS Name: barium(2+); 2-chloro-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; phosphate IUPAC Name: barium(2+); 2-chloro-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; phosphate Traditional Name: barium(2+); 2-chloro-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; phosphate Formula: C8H9BaClN4O7P- MolecularWeight: 476.933421

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCO)NC(=NC2=O)Cl.[O-]P(=O)([O-])[O-].[Ba+2]

Isomeric SMILES

C1=NC2=C(N1COCCO)NC(=NC2=O)Cl.[O-]P(=O)([O-])[O-].[Ba+2]

InChI

InChI=1S/C8H9ClN4O3.Ba.H3O4P/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;;1-5(2,3)4/h3,14H,1-2,4H2,(H,11,12,15);;(H3,1,2,3,4)/q;+2;/p-3