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

Systemtic Name: N-[(3-nitrophenyl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3-nitrophenyl)methyl]-2-(3-pyridyl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3-nitrophenyl)methyl]-2-(3-pyridinyl)-6-(trifluoromethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3-nitrophenyl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (3-nitrobenzyl)-[2-(3-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=CN=CC=C4)C(F)(F)F

Isomeric SMILES

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

InChI

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