5-bromanyl-2-piperazin-4-ium-1-yl-pyrimidine-4-carboxylate

Systemtic Name: 5-bromanyl-2-piperazin-4-ium-1-yl-pyrimidine-4-carboxylate Openeye Name: 5-bromo-2-piperazin-4-ium-1-yl-pyrimidine-4-carboxylate CAS Name: 5-bromo-2-(1-piperazin-4-iumyl)-4-pyrimidinecarboxylate IUPAC Name: 5-bromo-2-piperazin-4-ium-1-ylpyrimidine-4-carboxylate Traditional Name: 5-bromo-2-piperazin-4-ium-1-yl-pyrimidine-4-carboxylate Formula: C9H11BrN4O2 MolecularWeight: 287.11324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC=C(C(=N2)C(=O)[O-])Br

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC=C(C(=N2)C(=O)[O-])Br

InChI

InChI=1S/C9H11BrN4O2/c10-6-5-12-9(13-7(6)8(15)16)14-3-1-11-2-4-14/h5,11H,1-4H2,(H,15,16)