N-(1,3-benzodioxol-5-ylmethyl)-2-(1,2,4-triazol-1-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,2,4-triazol-1-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,2,4-triazol-1-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,2,4-triazol-1-yl)-6-(trifluoromethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,2,4-triazol-1-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: piperonyl-[2-(1,2,4-triazol-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:

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=C(SC4=NC(=N3)N5C=NC=N5)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=C(SC4=NC(=N3)N5C=NC=N5)C(F)(F)F

InChI

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