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

Systemtic Name: 1-[4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]phenyl]ethanone Openeye Name: 1-[4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]phenyl]ethanone CAS Name: 1-[4-[(6-amino-5-nitro-4-pyrimidinyl)amino]phenyl]ethanone IUPAC Name: 1-[4-[(6-amino-5-nitropyrimidin-4-yl)amino]phenyl]ethanone Traditional Name: 1-[4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]phenyl]ethanone Formula: C12H11N5O3 MolecularWeight: 273.24744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C12H11N5O3/c1-7(18)8-2-4-9(5-3-8)16-12-10(17(19)20)11(13)14-6-15-12/h2-6H,1H3,(H3,13,14,15,16)