N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(4-butoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(4-butoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-N6-(4-butoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-N6-(4-butoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-6-N-(4-butoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(4-butoxyphenyl)amine Formula: C20H19BrFN5O3 MolecularWeight: 476.298963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19BrFN5O3/c1-2-3-10-30-15-7-5-14(6-8-15)25-19-18(27(28)29)20(24-12-23-19)26-17-9-4-13(21)11-16(17)22/h4-9,11-12H,2-3,10H2,1H3,(H2,23,24,25,26)