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

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-propan-2-yl-pyrimidine-4-carboxylate Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-isopropyl-pyrimidine-4-carboxylate CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-6-propan-2-yl-4-pyrimidinecarboxylate IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-propan-2-ylpyrimidine-4-carboxylate Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-isopropyl-pyrimidine-4-carboxylate Formula: C14H22N4O2 MolecularWeight: 278.35008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O2/c1-4-17-5-7-18(8-6-17)14-15-11(10(2)3)9-12(16-14)13(19)20/h9-10H,4-8H2,1-3H3,(H,19,20)