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

Systemtic Name: N-[4-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]phenyl]ethanamide Openeye Name: N-[4-[[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide Traditional Name: N-[4-[(5-nitro-6-piperidino-pyrimidin-4-yl)amino]phenyl]acetamide Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C17H20N6O3/c1-12(24)20-13-5-7-14(8-6-13)21-16-15(23(25)26)17(19-11-18-16)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,20,24)(H,18,19,21)