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

Systemtic Name: N-[(3-nitrophenyl)methyl]-2-pyrazol-1-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3-nitrophenyl)methyl]-2-pyrazol-1-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3-nitrophenyl)methyl]-2-(1-pyrazolyl)-6-(trifluoromethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3-nitrophenyl)methyl]-2-pyrazol-1-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (3-nitrobenzyl)-[2-pyrazol-1-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]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=CC=N4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=C3C=C(SC3=NC(=N2)N4C=CC=N4)C(F)(F)F

InChI

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