6-cyclopropyl-2-piperazin-4-ium-1-yl-pyrimidine-4-carboxylate

Systemtic Name: 6-cyclopropyl-2-piperazin-4-ium-1-yl-pyrimidine-4-carboxylate Openeye Name: 6-cyclopropyl-2-piperazin-4-ium-1-yl-pyrimidine-4-carboxylate CAS Name: 6-cyclopropyl-2-(1-piperazin-4-iumyl)-4-pyrimidinecarboxylate IUPAC Name: 6-cyclopropyl-2-piperazin-4-ium-1-ylpyrimidine-4-carboxylate Traditional Name: 6-cyclopropyl-2-piperazin-4-ium-1-yl-pyrimidine-4-carboxylate Formula: C12H16N4O2 MolecularWeight: 248.28104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NC(=C2)C(=O)[O-])N3CC[NH2+]CC3

Isomeric SMILES

C1CC1C2=NC(=NC(=C2)C(=O)[O-])N3CC[NH2+]CC3

InChI

InChI=1S/C12H16N4O2/c17-11(18)10-7-9(8-1-2-8)14-12(15-10)16-5-3-13-4-6-16/h7-8,13H,1-6H2,(H,17,18)