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

Systemtic Name: 1-[4-[[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[6-[3-(4-morpholinyl)propylamino]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[6-(3-morpholin-4-ylpropylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O4/c1-14(26)15-3-5-16(6-4-15)23-19-17(25(27)28)18(21-13-22-19)20-7-2-8-24-9-11-29-12-10-24/h3-6,13H,2,7-12H2,1H3,(H2,20,21,22,23)