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

Systemtic Name: 1-[4-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]phenyl]ethanone Openeye Name: 1-[4-[[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone Traditional Name: 1-[4-[(5-nitro-6-piperidino-pyrimidin-4-yl)amino]phenyl]ethanone Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C17H19N5O3/c1-12(23)13-5-7-14(8-6-13)20-16-15(22(24)25)17(19-11-18-16)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H,18,19,20)