N4-[3,4-bis(fluoranyl)phenyl]-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[3,4-bis(fluoranyl)phenyl]-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3,4-difluorophenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,4-difluorophenyl)-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-difluorophenyl)-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-(3,4-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=CC(=C(C=C2)F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=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)32-21-16-17-22(27)23(28)19-21/h16-17,19-20H,2-15,18H2,1H3,(H2,29,30,31,32)