3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate

Systemtic Name: 3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate Openeye Name: 3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate IUPAC Name: 3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylate Traditional Name: 3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2,4-diketo-1H-pyrimidine-6-carboxylate Formula: C12H18N4O5 MolecularWeight: 298.29512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C=C(NC2=O)C(=O)[O-])CCO

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C=C(NC2=O)C(=O)[O-])CCO

InChI

InChI=1S/C12H18N4O5/c17-6-5-14-1-3-15(4-2-14)8-16-10(18)7-9(11(19)20)13-12(16)21/h7,17H,1-6,8H2,(H,13,21)(H,19,20)