carbonic acid; (5-carboxyoxypyrazin-2-yl) hydrogen carbonate; pyrimidine

Systemtic Name: carbonic acid; (5-carboxyoxypyrazin-2-yl) hydrogen carbonate; pyrimidine Openeye Name: carbonic acid; (5-carboxyoxypyrazin-2-yl) hydrogen carbonate; pyrimidine CAS Name: carbonic acid; carbonic acid (5-carboxyoxy-2-pyrazinyl) ester; pyrimidine IUPAC Name: carbonic acid; (5-carboxyoxypyrazin-2-yl) hydrogen carbonate; pyrimidine Traditional Name: carbonic acid; carbonic acid (5-carboxyoxypyrazin-2-yl) ester; pyrimidine Formula: C12H12N4O12 MolecularWeight: 404.24328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CN=C1.C1=C(N=CC(=N1)OC(=O)O)OC(=O)O.C(=O)(O)O.C(=O)(O)O

Isomeric SMILES

C1=CN=CN=C1.C1=C(N=CC(=N1)OC(=O)O)OC(=O)O.C(=O)(O)O.C(=O)(O)O

InChI

InChI=1S/C6H4N2O6.C4H4N2.2CH2O3/c9-5(10)13-3-1-7-4(2-8-3)14-6(11)12;1-2-5-4-6-3-1;2*2-1(3)4/h1-2H,(H,9,10)(H,11,12);1-4H;2*(H2,2,3,4)