1-[2-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenyl]propan-1-one

Systemtic Name: 1-[2-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenyl]propan-1-one Openeye Name: 1-[2-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphenyl]propan-1-one CAS Name: 1-[2-[[6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]phenyl]-1-propanone IUPAC Name: 1-[2-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxyphenyl]propan-1-one Traditional Name: 1-[2-[6-[4-(2-furoyl)piperazino]-5-nitro-pyrimidin-4-yl]oxyphenyl]propan-1-one Formula: C22H21N5O6 MolecularWeight: 451.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCC(=O)C1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H21N5O6/c1-2-16(28)15-6-3-4-7-17(15)33-21-19(27(30)31)20(23-14-24-21)25-9-11-26(12-10-25)22(29)18-8-5-13-32-18/h3-8,13-14H,2,9-12H2,1H3