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

Systemtic Name: [4-[6-(4-bromanyl-2-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-(4-bromo-2-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-(4-bromo-2-methoxyphenoxy)-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-(4-bromo-2-methoxyphenoxy)-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-(4-bromo-2-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C20H18BrN5O6 MolecularWeight: 504.29082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN5O6/c1-30-16-11-13(21)4-5-14(16)32-19-17(26(28)29)18(22-12-23-19)24-6-8-25(9-7-24)20(27)15-3-2-10-31-15/h2-5,10-12H,6-9H2,1H3