6-(benzotriazol-1-yl)-N-[2,5-bis(fluoranyl)phenyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-N-[2,5-bis(fluoranyl)phenyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-(2,5-difluorophenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-(2,5-difluorophenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-(2,5-difluorophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(2,5-difluorophenyl)amine Formula: C16H9F2N7O2 MolecularWeight: 369.285166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NC4=C(C=CC(=C4)F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NC4=C(C=CC(=C4)F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H9F2N7O2/c17-9-5-6-10(18)12(7-9)21-15-14(25(26)27)16(20-8-19-15)24-13-4-2-1-3-11(13)22-23-24/h1-8H,(H,19,20,21)