N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-N6-pyridin-4-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-N6-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N6-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N6-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-6-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(4-pyridyl)amine Formula: C16H10ClF3N6O2 MolecularWeight: 410.73781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClF3N6O2/c17-12-2-1-10(7-11(12)16(18,19)20)25-15-13(26(27)28)14(22-8-23-15)24-9-3-5-21-6-4-9/h1-8H,(H2,21,22,23,24,25)