ethyl 4-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H27N7O4 MolecularWeight: 393.44078

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C17H27N7O4/c1-3-20-5-7-21(8-6-20)15-14(24(26)27)16(19-13-18-15)22-9-11-23(12-10-22)17(25)28-4-2/h13H,3-12H2,1-2H3