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

Systemtic Name: N4-[3,4-bis(fluoranyl)phenyl]-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3,4-difluorophenyl)-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,4-difluorophenyl)-N6-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-difluorophenyl)-6-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3,4-difluoroanilino)-5-nitro-pyrimidin-4-yl]-(4-iodophenyl)amine Formula: C16H10F2IN5O2 MolecularWeight: 469.184176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)F)[N+](=O)[O-])I

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)F)[N+](=O)[O-])I

InChI

InChI=1S/C16H10F2IN5O2/c17-12-6-5-11(7-13(12)18)23-16-14(24(25)26)15(20-8-21-16)22-10-3-1-9(19)2-4-10/h1-8H,(H2,20,21,22,23)