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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C20H16F3N5O2 MolecularWeight: 415.36855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F3N5O2/c21-20(22,23)15-6-3-7-16(10-15)26-18-17(28(29)30)19(25-12-24-18)27-9-8-13-4-1-2-5-14(13)11-27/h1-7,10,12H,8-9,11H2,(H,24,25,26)