N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C14H15BrFN5O3 MolecularWeight: 400.203003

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C14H15BrFN5O3/c1-24-6-2-5-17-13-12(21(22)23)14(19-8-18-13)20-11-4-3-9(15)7-10(11)16/h3-4,7-8H,2,5-6H2,1H3,(H2,17,18,19,20)