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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxo-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetamide Formula: C21H17N3O4S2 MolecularWeight: 439.50738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5)OC1

InChI

InChI=1S/C21H17N3O4S2/c25-18(23-13-4-5-15-16(9-13)28-7-2-6-27-15)10-24-12-22-20-19(21(24)26)14(11-30-20)17-3-1-8-29-17/h1,3-5,8-9,11-12H,2,6-7,10H2,(H,23,25)