1-[4-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[4-(methylamino)-5-nitro-2-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[4-(methylamino)-5-nitropyrimidin-2-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]ethanone Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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