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

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-N6-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-N6-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-6-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(1-naphthyl)amine Formula: C20H13BrFN5O2 MolecularWeight: 454.251923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC3=C(C(=NC=N3)NC4=C(C=C(C=C4)Br)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC3=C(C(=NC=N3)NC4=C(C=C(C=C4)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C20H13BrFN5O2/c21-13-8-9-17(15(22)10-13)26-20-18(27(28)29)19(23-11-24-20)25-16-7-3-5-12-4-1-2-6-14(12)16/h1-11H,(H2,23,24,25,26)