N4-[2,4-bis(fluoranyl)phenyl]-5-nitro-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-[2,4-bis(fluoranyl)phenyl]-5-nitro-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(2,4-difluorophenyl)-5-nitro-N6-(4-phenylazophenyl)pyrimidine-4,6-diamine CAS Name: N4-(2,4-difluorophenyl)-5-nitro-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2,4-difluorophenyl)-5-nitro-6-N-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(2,4-difluoroanilino)-5-nitro-pyrimidin-4-yl]-(4-phenylazophenyl)amine Formula: C22H15F2N7O2 MolecularWeight: 447.397006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=C(C=C(C=C4)F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=C(C=C(C=C4)F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H15F2N7O2/c23-14-6-11-19(18(24)12-14)28-22-20(31(32)33)21(25-13-26-22)27-15-7-9-17(10-8-15)30-29-16-4-2-1-3-5-16/h1-13H,(H2,25,26,27,28)