1-[3-[[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[5-nitro-6-[2-(1-piperidyl)ethylamino]pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-nitro-6-[2-(1-piperidinyl)ethylamino]-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O3/c1-14(26)15-6-5-7-16(12-15)23-19-17(25(27)28)18(21-13-22-19)20-8-11-24-9-3-2-4-10-24/h5-7,12-13H,2-4,8-11H2,1H3,(H2,20,21,22,23)