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

Systemtic Name: 1-[3-[[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-nitro-6-(3-pyridinylamino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-nitro-6-(3-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(=CC=C1)NC2=C(C(=NC=N2)NC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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