N-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: [2-chloro-5-(trifluoromethyl)phenyl]-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C21H18ClF3N6O2 MolecularWeight: 478.85483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=C(C=CC(=C4)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=C(C=CC(=C4)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H18ClF3N6O2/c22-16-7-6-14(21(23,24)25)12-17(16)28-19-18(31(32)33)20(27-13-26-19)30-10-8-29(9-11-30)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,26,27,28)