ethyl 2-(4-ethylpiperazin-4-ium-1-yl)-6-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-ethylpiperazin-4-ium-1-yl)-6-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-ethylpiperazin-4-ium-1-yl)-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-ethylpiperazin-4-ium-1-yl)-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-keto-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C13H21N4O3+ MolecularWeight: 281.33084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O3/c1-3-16-5-7-17(8-6-16)13-14-9-10(11(18)15-13)12(19)20-4-2/h9H,3-8H2,1-2H3,(H,14,15,18)/p+1