N6-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-N4-propan-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-N4-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-[2-chloro-5-(trifluoromethyl)phenyl]-N4-isopropyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-N4-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: [6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-isopropyl-amine Formula: C14H13ClF3N5O2 MolecularWeight: 375.73353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C14H13ClF3N5O2/c1-7(2)21-12-11(23(24)25)13(20-6-19-12)22-10-5-8(14(16,17)18)3-4-9(10)15/h3-7H,1-2H3,(H2,19,20,21,22)