N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-bromo-2-fluoro-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-bromo-2-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(4-bromo-2-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-piperonyl-amine Formula: C18H13BrFN5O4 MolecularWeight: 462.229323

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C18H13BrFN5O4/c19-11-2-3-13(12(20)6-11)24-18-16(25(26)27)17(22-8-23-18)21-7-10-1-4-14-15(5-10)29-9-28-14/h1-6,8H,7,9H2,(H2,21,22,23,24)