[4-[6-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[6-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-[(5-bromo-2-fluoro-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-[(5-bromo-2-fluorophenyl)methylamino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-[(5-bromo-2-fluorophenyl)methylamino]-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-[(5-bromo-2-fluoro-benzyl)amino]-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C20H18BrFN6O4 MolecularWeight: 505.297123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NCC3=C(C=CC(=C3)Br)F)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NCC3=C(C=CC(=C3)Br)F)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C20H18BrFN6O4/c21-14-3-4-15(22)13(10-14)11-23-18-17(28(30)31)19(25-12-24-18)26-5-7-27(8-6-26)20(29)16-2-1-9-32-16/h1-4,9-10,12H,5-8,11H2,(H,23,24,25)