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

Systemtic Name: N-[(3-nitrophenyl)methyl]-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3-nitrophenyl)methyl]-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[(3-nitrophenyl)methyl]-2-(2-pyrazinyl)-6-(trifluoromethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[(3-nitrophenyl)methyl]-2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (3-nitrobenzyl)-[2-pyrazin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C18H11F3N6O2S MolecularWeight: 432.37915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11F3N6O2S/c19-18(20,21)14-7-12-15(24-8-10-2-1-3-11(6-10)27(28)29)25-16(26-17(12)30-14)13-9-22-4-5-23-13/h1-7,9H,8H2,(H,24,25,26)