5-[4-(1,3-benzodioxol-5-ylmethylamino)thieno[3,2-d]pyrimidin-6-yl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethylamino)thieno[3,2-d]pyrimidin-6-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethylamino)thieno[3,2-d]pyrimidin-6-yl]-2-fluoro-benzonitrile CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethylamino)-6-thieno[3,2-d]pyrimidinyl]-2-fluorobenzonitrile IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethylamino)thieno[3,2-d]pyrimidin-6-yl]-2-fluorobenzonitrile Traditional Name: 2-fluoro-5-[4-(piperonylamino)thieno[3,2-d]pyrimidin-6-yl]benzonitrile Formula: C21H13FN4O2S MolecularWeight: 404.416923

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3SC(=C4)C5=CC(=C(C=C5)F)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3SC(=C4)C5=CC(=C(C=C5)F)C#N

InChI

InChI=1S/C21H13FN4O2S/c22-15-3-2-13(6-14(15)8-23)19-7-16-20(29-19)21(26-10-25-16)24-9-12-1-4-17-18(5-12)28-11-27-17/h1-7,10H,9,11H2,(H,24,25,26)