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

Systemtic Name: N6-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(4-bromo-2-fluoro-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-bromo-2-fluorophenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(4-bromo-2-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C24H19BrFN5O2 MolecularWeight: 508.342363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C24H19BrFN5O2/c25-19-11-12-21(20(26)13-19)29-23-22(31(32)33)24(28-16-27-23)30(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,16H,14-15H2,(H,27,28,29)