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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1,2,4-triazol-1-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1,2,4-triazol-1-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1,2,4-triazol-1-yl)-6-(trifluoromethyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1,2,4-triazol-1-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: homopiperonyl-[2-(1,2,4-triazol-1-yl)-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C18H13F3N6O2S MolecularWeight: 434.39503

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC3=C4C=C(SC4=NC(=N3)N5C=NC=N5)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC3=C4C=C(SC4=NC(=N3)N5C=NC=N5)C(F)(F)F

InChI

InChI=1S/C18H13F3N6O2S/c19-18(20,21)14-6-11-15(25-17(26-16(11)30-14)27-8-22-7-24-27)23-4-3-10-1-2-12-13(5-10)29-9-28-12/h1-2,5-8H,3-4,9H2,(H,23,25,26)