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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxy-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-thieno[2,3-d]pyrimidinyloxy)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-thieno[2,3-d]pyrimidin-4-yloxy-acetamide Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC2=C3C=CSC3=NC=N2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC2=C3C=CSC3=NC=N2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H24N4O4S2/c1-15-6-7-16(12-18(15)31(27,28)25-9-4-2-3-5-10-25)24-19(26)13-29-20-17-8-11-30-21(17)23-14-22-20/h6-8,11-12,14H,2-5,9-10,13H2,1H3,(H,24,26)