N-[4-chloranyl-3-(trifluoromethyl)phenyl]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: [4-chloro-3-(trifluoromethyl)phenyl]-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C20H15ClF3N5O2 MolecularWeight: 449.81361

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NC4=CC(=C(C=C4)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NC4=CC(=C(C=C4)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClF3N5O2/c21-16-6-5-14(9-15(16)20(22,23)24)27-18-17(29(30)31)19(26-11-25-18)28-8-7-12-3-1-2-4-13(12)10-28/h1-6,9,11H,7-8,10H2,(H,25,26,27)