ethyl 4-[[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O4/c1-3-23-9-11-24(12-10-23)18-16(25(27)28)17(20-13-21-18)22-15-7-5-14(6-8-15)19(26)29-4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,20,21,22)