1-[7-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-1-benzofuran-2-yl]ethanone

Systemtic Name: 1-[7-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-1-benzofuran-2-yl]ethanone Openeye Name: 1-[7-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxybenzofuran-2-yl]ethanone CAS Name: 1-[7-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]oxy]-2-benzofuranyl]ethanone IUPAC Name: 1-[7-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxy-1-benzofuran-2-yl]ethanone Traditional Name: 1-[7-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]oxybenzofuran-2-yl]ethanone Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(O1)C(=CC=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C

Isomeric SMILES

CC(=O)C1=CC2=C(O1)C(=CC=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C

InChI

InChI=1S/C19H19N5O5/c1-12(25)15-10-13-4-3-5-14(17(13)28-15)29-19-16(24(26)27)18(20-11-21-19)23-8-6-22(2)7-9-23/h3-5,10-11H,6-9H2,1-2H3