N-[2-[[6-[4-(5-nitro-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-(5-nitro-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(2-hydroxy-5-nitro-benzoyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[(2-hydroxy-5-nitrophenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(2-hydroxy-5-nitrobenzoyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(2-hydroxy-5-nitro-benzoyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C25H27N7O5 MolecularWeight: 505.52578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N7O5/c1-17(33)26-9-10-27-22-16-23(29-24(28-22)18-5-3-2-4-6-18)30-11-13-31(14-12-30)25(35)20-15-19(32(36)37)7-8-21(20)34/h2-8,15-16,34H,9-14H2,1H3,(H,26,33)(H,27,28,29)