ethyl 4-[[6-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-[(5-bromo-2-fluoro-phenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-[(5-bromo-2-fluorophenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-[(5-bromo-2-fluorophenyl)methylamino]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-[(5-bromo-2-fluoro-benzyl)amino]-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H22BrFN6O4 MolecularWeight: 497.318183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCC3=C(C=CC(=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCC3=C(C=CC(=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C19H22BrFN6O4/c1-2-31-19(28)26-7-5-14(6-8-26)25-18-16(27(29)30)17(23-11-24-18)22-10-12-9-13(20)3-4-15(12)21/h3-4,9,11,14H,2,5-8,10H2,1H3,(H2,22,23,24,25)