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

Systemtic Name: 1-[3-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]phenyl]ethanone Openeye Name: 1-[3-[(6-morpholino-5-nitro-pyrimidin-4-yl)amino]phenyl]ethanone CAS Name: 1-[3-[[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]phenyl]ethanone Traditional Name: 1-[3-[(6-morpholino-5-nitro-pyrimidin-4-yl)amino]phenyl]ethanone Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C16H17N5O4/c1-11(22)12-3-2-4-13(9-12)19-15-14(21(23)24)16(18-10-17-15)20-5-7-25-8-6-20/h2-4,9-10H,5-8H2,1H3,(H,17,18,19)