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

Systemtic Name: 1-[4-[[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[5-nitro-6-(pyridin-4-ylamino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C17H14N6O3 MolecularWeight: 350.33146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O3/c1-11(24)12-2-4-13(5-3-12)21-16-15(23(25)26)17(20-10-19-16)22-14-6-8-18-9-7-14/h2-10H,1H3,(H2,18,19,20,21,22)