[4-[6-(2-fluoranyl-6-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[6-(2-fluoranyl-6-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-(2-fluoro-6-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-(2-fluoro-6-methoxyphenoxy)-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-(2-fluoro-6-methoxyphenoxy)-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-(2-fluoro-6-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C20H18FN5O6 MolecularWeight: 443.385223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)F)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

COC1=C(C(=CC=C1)F)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H18FN5O6/c1-30-14-5-2-4-13(21)17(14)32-19-16(26(28)29)18(22-12-23-19)24-7-9-25(10-8-24)20(27)15-6-3-11-31-15/h2-6,11-12H,7-10H2,1H3