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

Systemtic Name: methyl 2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-(4-bromophenyl)-6-ethyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C22H18BrN3O2S MolecularWeight: 468.36622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)NC3=CC=CC=C3C(=O)OC)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)NC3=CC=CC=C3C(=O)OC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3O2S/c1-3-17-18(13-8-10-14(23)11-9-13)19-20(24-12-25-21(19)29-17)26-16-7-5-4-6-15(16)22(27)28-2/h4-12H,3H2,1-2H3,(H,24,25,26)