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

Systemtic Name: [4-[6-(2-chloranyl-4-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-(2-chloro-4-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-(2-chloro-4-methylphenoxy)-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-(2-chloro-4-methylphenoxy)-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-(2-chloro-4-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C20H18ClN5O5 MolecularWeight: 443.84042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CO4)Cl

InChI

InChI=1S/C20H18ClN5O5/c1-13-4-5-15(14(21)11-13)31-19-17(26(28)29)18(22-12-23-19)24-6-8-25(9-7-24)20(27)16-3-2-10-30-16/h2-5,10-12H,6-9H2,1H3