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

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-(4-bromo-2-fluoro-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-(4-bromo-2-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H13BrFN5O2 MolecularWeight: 418.219823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H13BrFN5O2/c18-12-6-7-14(13(19)8-12)23-17-15(24(25)26)16(21-10-22-17)20-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H2,20,21,22,23)