methyl 2-[[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O4/c1-3-22-8-10-23(11-9-22)17-15(24(26)27)16(19-12-20-17)21-14-7-5-4-6-13(14)18(25)28-2/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21)