N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetamide Formula: C16H12BrN3O4S MolecularWeight: 422.25318

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C16H12BrN3O4S/c17-10-5-12-13(24-3-2-23-12)6-11(10)19-14(21)7-20-8-18-15-9(16(20)22)1-4-25-15/h1,4-6,8H,2-3,7H2,(H,19,21)