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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)thieno[3,2-d]pyrimidin-6-yl]benzamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)thieno[3,2-d]pyrimidin-6-yl]benzamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-thieno[3,2-d]pyrimidinyl]benzamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)thieno[3,2-d]pyrimidin-6-yl]benzamide Traditional Name: 2-[4-(piperonylamino)thieno[3,2-d]pyrimidin-6-yl]benzamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3SC(=C4)C5=CC=CC=C5C(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3SC(=C4)C5=CC=CC=C5C(=O)N

InChI

InChI=1S/C21H16N4O3S/c22-20(26)14-4-2-1-3-13(14)18-8-15-19(29-18)21(25-10-24-15)23-9-12-5-6-16-17(7-12)28-11-27-16/h1-8,10H,9,11H2,(H2,22,26)(H,23,24,25)