1-[3-[[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(2-methoxyethylamino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(2-methoxyethylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(2-methoxyethylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O4/c1-10(21)11-4-3-5-12(8-11)19-15-13(20(22)23)14(17-9-18-15)16-6-7-24-2/h3-5,8-9H,6-7H2,1-2H3,(H2,16,17,18,19)