N6-(4-bromanyl-2-fluoranyl-phenyl)-N4-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-bromanyl-2-fluoranyl-phenyl)-N4-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-bromo-2-fluoro-phenyl)-N4-(2-methoxy-1-methyl-ethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-bromo-2-fluorophenyl)-N4-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-bromo-2-fluorophenyl)-4-N-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(2-methoxy-1-methyl-ethyl)amine Formula: C14H15BrFN5O3 MolecularWeight: 400.203003

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)Br)F

InChI

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