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

Systemtic Name: N4-[2,4-bis(fluoranyl)phenyl]-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,4-difluorophenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,4-difluorophenyl)-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,4-difluorophenyl)-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-(2,4-difluoroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C26H39F2N5O2 MolecularWeight: 491.616966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C26H39F2N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-25-24(33(34)35)26(31-20-30-25)32-23-17-16-21(27)19-22(23)28/h16-17,19-20H,2-15,18H2,1H3,(H2,29,30,31,32)