1-[3-[[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O3/c1-3-22-7-9-23(10-8-22)18-16(24(26)27)17(19-12-20-18)21-15-6-4-5-14(11-15)13(2)25/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,20,21)