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1-[3-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]phenyl]ethanone
1-[3-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]phenyl]ethanone
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Descriptors Computed from Structure
Canonical SMILES:
CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3
Isomeric SMILES
CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3
InChI
InChI=1S/C17H19N5O3/c1-12(23)13-6-5-7-14(10-13)20-16-15(22(24)25)17(19-11-18-16)21-8-3-2-4-9-21/h5-7,10-11H,2-4,8-9H2,1H3,(H,18,19,20)
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