5-bromanyl-2-ethoxy-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide Openeye Name: 5-bromo-2-ethoxy-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide CAS Name: 5-bromo-2-ethoxy-N-[5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]benzenesulfonamide IUPAC Name: 5-bromo-2-ethoxy-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide Traditional Name: 5-bromo-2-ethoxy-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide Formula: C21H18BrN3O4S2 MolecularWeight: 520.41932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H18BrN3O4S2/c1-3-29-17-9-6-14(22)10-18(17)31(26,27)25-20-19-16(11-30-21(19)24-12-23-20)13-4-7-15(28-2)8-5-13/h4-12H,3H2,1-2H3,(H,23,24,25)