N-[(3-nitrophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[(3-nitrophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: 2-isoxazol-5-yl-N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: 2-(5-isoxazolyl)-N-[(3-nitrophenyl)methyl]-6-(trifluoromethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3-nitrophenyl)methyl]-2-(1,2-oxazol-5-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: [2-isoxazol-5-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]-(3-nitrobenzyl)amine Formula: C17H10F3N5O3S MolecularWeight: 421.35321

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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=NO4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C3C=C(SC3=NC(=N2)C4=CC=NO4)C(F)(F)F

InChI

InChI=1S/C17H10F3N5O3S/c18-17(19,20)13-7-11-14(21-8-9-2-1-3-10(6-9)25(26)27)23-15(24-16(11)29-13)12-4-5-22-28-12/h1-7H,8H2,(H,21,23,24)