1-[3-[[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-nitro-6-(8-quinolinylamino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C21H16N6O3 MolecularWeight: 400.39014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O3/c1-13(28)15-6-2-8-16(11-15)25-20-19(27(29)30)21(24-12-23-20)26-17-9-3-5-14-7-4-10-22-18(14)17/h2-12H,1H3,(H2,23,24,25,26)