N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetamide Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=CS4)OC1

InChI

InChI=1S/C17H15N3O4S/c21-15(9-20-10-18-16-12(17(20)22)4-7-25-16)19-11-2-3-13-14(8-11)24-6-1-5-23-13/h2-4,7-8,10H,1,5-6,9H2,(H,19,21)