N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C20H22N4O4S2/c25-18(13-23-14-21-19-17(20(23)26)8-11-29-19)22-15-6-5-7-16(12-15)30(27,28)24-9-3-1-2-4-10-24/h5-8,11-12,14H,1-4,9-10,13H2,(H,22,25)