4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-pyrimidine-5-carboxylate

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-pyrimidine-5-carboxylate Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-pyrimidine-5-carboxylate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-2-methyl-5-pyrimidinecarboxylate IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2-methylpyrimidine-5-carboxylate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-pyrimidine-5-carboxylate Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=NC=C2C(=O)[O-])C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=NC=C2C(=O)[O-])C

InChI

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