N-[(3-nitrophenyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[(3-nitrophenyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3-nitrophenyl)methyl]-2-(4-pyridyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3-nitrophenyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3-nitrophenyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (3-nitrobenzyl)-[2-(4-pyridyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C19H12F3N5O2S MolecularWeight: 431.39109

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C3C=C(SC3=NC(=N2)C4=CC=NC=C4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C3C=C(SC3=NC(=N2)C4=CC=NC=C4)C(F)(F)F

InChI

InChI=1S/C19H12F3N5O2S/c20-19(21,22)15-9-14-17(24-10-11-2-1-3-13(8-11)27(28)29)25-16(26-18(14)30-15)12-4-6-23-7-5-12/h1-9H,10H2,(H,24,25,26)