(2-methyl-6-oxidanylidene-1H-pyrimidin-4-yl) hydrogen carbonate hydrate

Systemtic Name: (2-methyl-6-oxidanylidene-1H-pyrimidin-4-yl) hydrogen carbonate hydrate Openeye Name: (2-methyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate hydrate CAS Name: carbonic acid (2-methyl-6-oxo-1H-pyrimidin-4-yl) ester hydrate IUPAC Name: (2-methyl-6-oxo-1H-pyrimidin-4-yl) hydrogen carbonate hydrate Traditional Name: carbonic acid (6-keto-2-methyl-1H-pyrimidin-4-yl) ester hydrate Formula: C6H8N2O5 MolecularWeight: 188.13812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=O)N1)OC(=O)O.O

Isomeric SMILES

CC1=NC(=CC(=O)N1)OC(=O)O.O

InChI

InChI=1S/C6H6N2O4.H2O/c1-3-7-4(9)2-5(8-3)12-6(10)11;/h2H,1H3,(H,10,11)(H,7,8,9);1H2