N2,N4-bis[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(2,2-difluoro-1,3-benzodioxol-5-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: (2,2-difluoro-1,3-benzodioxol-5-yl)-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H9F4N5O6 MolecularWeight: 467.287573

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC3=NC(=NC=C3[N+](=O)[O-])NC4=CC5=C(C=C4)OC(O5)(F)F)OC(O2)(F)F

Isomeric SMILES

C1=CC2=C(C=C1NC3=NC(=NC=C3[N+](=O)[O-])NC4=CC5=C(C=C4)OC(O5)(F)F)OC(O2)(F)F

InChI

InChI=1S/C18H9F4N5O6/c19-17(20)30-11-3-1-8(5-13(11)32-17)24-15-10(27(28)29)7-23-16(26-15)25-9-2-4-12-14(6-9)33-18(21,22)31-12/h1-7H,(H2,23,24,25,26)