2-imidazol-1-yl-N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 2-imidazol-1-yl-N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2-imidazol-1-yl-N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 2-(1-imidazolyl)-N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 2-imidazol-1-yl-N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [2-imidazol-1-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]-(3-nitrobenzyl)amine Formula: C17H11F3N6O2S MolecularWeight: 420.36845

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C3C=C(SC3=NC(=N2)N4C=CN=C4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C3C=C(SC3=NC(=N2)N4C=CN=C4)C(F)(F)F

InChI

InChI=1S/C17H11F3N6O2S/c18-17(19,20)13-7-12-14(22-8-10-2-1-3-11(6-10)26(27)28)23-16(24-15(12)29-13)25-5-4-21-9-25/h1-7,9H,8H2,(H,22,23,24)