3-[4-(2-hydroxyethyl)piperazin-1-yl]carbonylpyrazine-2-carboxylic acid hydrate

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]carbonylpyrazine-2-carboxylic acid hydrate Openeye Name: 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid hydrate CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]-2-pyrazinecarboxylic acid hydrate IUPAC Name: 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid hydrate Traditional Name: 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrazinoic acid hydrate Formula: C12H18N4O5 MolecularWeight: 298.29512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C(=O)C2=NC=CN=C2C(=O)O.O

Isomeric SMILES

C1CN(CCN1CCO)C(=O)C2=NC=CN=C2C(=O)O.O

InChI

InChI=1S/C12H16N4O4.H2O/c17-8-7-15-3-5-16(6-4-15)11(18)9-10(12(19)20)14-2-1-13-9;/h1-2,17H,3-8H2,(H,19,20);1H2