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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C21H24N4O4S3 MolecularWeight: 492.63466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C21H24N4O4S3/c1-29-18-7-6-15(32(27,28)25-9-4-2-3-5-10-25)12-17(18)24-19(26)13-31-21-16-8-11-30-20(16)22-14-23-21/h6-8,11-12,14H,2-5,9-10,13H2,1H3,(H,24,26)