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

Systemtic Name: N4-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H13ClF3N5O2 MolecularWeight: 423.77633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H13ClF3N5O2/c19-14-7-6-12(8-13(14)18(20,21)22)26-17-15(27(28)29)16(24-10-25-17)23-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H2,23,24,25,26)