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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-[4-(trifluoromethyloxy)phenyl]pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-[4-(trifluoromethoxy)phenyl]-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C20H16F3N5O3 MolecularWeight: 431.36795

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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)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H16F3N5O3/c21-20(22,23)31-16-7-5-15(6-8-16)26-18-17(28(29)30)19(25-12-24-18)27-10-9-13-3-1-2-4-14(13)11-27/h1-8,12H,9-11H2,(H,24,25,26)