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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxy-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(4-thieno[2,3-d]pyrimidinyloxy)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxy-acetamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C4C=CSC4=NC=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C4C=CSC4=NC=N3

InChI

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