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

Systemtic Name: 1-[3-[[6-[(2-chloranylpyridin-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-[(2-chloro-3-pyridinyl)amino]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-[(2-chloropyridin-3-yl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C17H13ClN6O3 MolecularWeight: 384.77652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN6O3/c1-10(25)11-4-2-5-12(8-11)22-16-14(24(26)27)17(21-9-20-16)23-13-6-3-7-19-15(13)18/h2-9H,1H3,(H2,20,21,22,23)