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

Systemtic Name: N4-(4-iodophenyl)-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-(4-iodophenyl)-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N4-(4-iodophenyl)-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-iodophenyl)-5-nitro-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C17H11F3IN5O2 MolecularWeight: 501.20122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)I)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)I)[N+](=O)[O-]

InChI

InChI=1S/C17H11F3IN5O2/c18-17(19,20)10-1-5-12(6-2-10)24-15-14(26(27)28)16(23-9-22-15)25-13-7-3-11(21)4-8-13/h1-9H,(H2,22,23,24,25)