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

Systemtic Name: 1-[3-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(methylamino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O3/c1-8(19)9-4-3-5-10(6-9)17-13-11(18(20)21)12(14-2)15-7-16-13/h3-7H,1-2H3,(H2,14,15,16,17)