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

Systemtic Name: N6-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-N4-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine Openeye Name: N6-(4-bromo-2-fluoro-phenyl)-5-nitro-N4-(2,2,6,6-tetramethyl-4-piperidyl)pyrimidine-4,6-diamine CAS Name: N6-(4-bromo-2-fluorophenyl)-5-nitro-N4-(2,2,6,6-tetramethyl-4-piperidinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-bromo-2-fluorophenyl)-5-nitro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(2,2,6,6-tetramethyl-4-piperidyl)amine Formula: C19H24BrFN6O2 MolecularWeight: 467.335263

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(N1)(C)C)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F)C

Isomeric SMILES

CC1(CC(CC(N1)(C)C)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F)C

InChI

InChI=1S/C19H24BrFN6O2/c1-18(2)8-12(9-19(3,4)26-18)24-16-15(27(28)29)17(23-10-22-16)25-14-6-5-11(20)7-13(14)21/h5-7,10,12,26H,8-9H2,1-4H3,(H2,22,23,24,25)