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

Systemtic Name: 1-[3-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C17H16N6O3 MolecularWeight: 352.34734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=CC=CC(=C3)C(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H16N6O3/c1-10-7-11(2)22(21-10)17-15(23(25)26)16(18-9-19-17)20-14-6-4-5-13(8-14)12(3)24/h4-9H,1-3H3,(H,18,19,20)