methyl 2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylate hydrate

Systemtic Name: methyl 2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylate hydrate Openeye Name: methyl 2,4-dioxo-1H-pyrimidine-5-carboxylate hydrate CAS Name: 2,4-dioxo-1H-pyrimidine-5-carboxylic acid methyl ester hydrate IUPAC Name: methyl 2,4-dioxo-1H-pyrimidine-5-carboxylate hydrate Traditional Name: 2,4-diketo-1H-pyrimidine-5-carboxylic acid methyl ester hydrate Formula: C6H8N2O5 MolecularWeight: 188.13812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC(=O)NC1=O.O

Isomeric SMILES

COC(=O)C1=CNC(=O)NC1=O.O

InChI

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