[4-[6-(2,6-dimethoxyphenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[6-(2,6-dimethoxyphenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-(2,6-dimethoxyphenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-(2,6-dimethoxyphenoxy)-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-(2,6-dimethoxyphenoxy)-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-(2,6-dimethoxyphenoxy)-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C21H21N5O7 MolecularWeight: 455.42074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O7/c1-30-14-5-3-6-15(31-2)18(14)33-20-17(26(28)29)19(22-13-23-20)24-8-10-25(11-9-24)21(27)16-7-4-12-32-16/h3-7,12-13H,8-11H2,1-2H3