2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-ethylsulfonyl-phenol

Systemtic Name: 2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-ethylsulfonyl-phenol Openeye Name: 2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-ethylsulfonyl-phenol CAS Name: 2-[[5-(4-bromophenyl)-6-ethyl-4-thieno[2,3-d]pyrimidinyl]amino]-4-ethylsulfonylphenol IUPAC Name: 2-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]-4-ethylsulfonylphenol Traditional Name: 2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-esyl-phenol Formula: C22H20BrN3O3S2 MolecularWeight: 518.4465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)NC3=C(C=CC(=C3)S(=O)(=O)CC)O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)NC3=C(C=CC(=C3)S(=O)(=O)CC)O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H20BrN3O3S2/c1-3-18-19(13-5-7-14(23)8-6-13)20-21(24-12-25-22(20)30-18)26-16-11-15(9-10-17(16)27)31(28,29)4-2/h5-12,27H,3-4H2,1-2H3,(H,24,25,26)