2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidine-4-carboxylate

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidine-4-carboxylate Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidine-4-carboxylate CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-6-methyl-4-pyrimidinecarboxylate IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-methylpyrimidine-4-carboxylate Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-pyrimidine-4-carboxylate Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=CC(=N2)C)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=CC(=N2)C)C(=O)[O-]

InChI

InChI=1S/C12H18N4O2/c1-3-15-4-6-16(7-5-15)12-13-9(2)8-10(14-12)11(17)18/h8H,3-7H2,1-2H3,(H,17,18)