N6-[(4-fluorophenyl)methyl]-N4-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-fluorophenyl)methyl]-N4-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-fluorophenyl)methyl]-N4-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-fluorophenyl)methyl]-N4-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-fluorophenyl)methyl]-4-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-fluorobenzyl)-[6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H13FIN5O2 MolecularWeight: 465.220293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I)F

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I)F

InChI

InChI=1S/C17H13FIN5O2/c18-12-3-1-11(2-4-12)9-20-16-15(24(25)26)17(22-10-21-16)23-14-7-5-13(19)6-8-14/h1-8,10H,9H2,(H2,20,21,22,23)