N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxy-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(4-thieno[2,3-d]pyrimidinyloxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxy-acetamide Formula: C20H21ClN4O4S2 MolecularWeight: 480.98814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O4S2/c21-16-6-5-14(31(27,28)25-8-3-1-2-4-9-25)11-17(16)24-18(26)12-29-19-15-7-10-30-20(15)23-13-22-19/h5-7,10-11,13H,1-4,8-9,12H2,(H,24,26)