1-[4-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-3,5-dimethoxy-phenyl]ethanone

Systemtic Name: 1-[4-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-3,5-dimethoxy-phenyl]ethanone Openeye Name: 1-[4-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-3,5-dimethoxy-phenyl]ethanone CAS Name: 1-[4-[[6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]-3,5-dimethoxyphenyl]ethanone IUPAC Name: 1-[4-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxy-3,5-dimethoxyphenyl]ethanone Traditional Name: 1-[4-[6-[4-(2-furoyl)piperazino]-5-nitro-pyrimidin-4-yl]oxy-3,5-dimethoxy-phenyl]ethanone Formula: C23H23N5O8 MolecularWeight: 497.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C(=C1)OC)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C(=C1)OC)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4)OC

InChI

InChI=1S/C23H23N5O8/c1-14(29)15-11-17(33-2)20(18(12-15)34-3)36-22-19(28(31)32)21(24-13-25-22)26-6-8-27(9-7-26)23(30)16-5-4-10-35-16/h4-5,10-13H,6-9H2,1-3H3