5-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[5-(4-bromophenyl)-6-ethyl-4-thieno[2,3-d]pyrimidinyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxy-benzoic acid Formula: C21H16BrN3O3S MolecularWeight: 470.33904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O3S/c1-2-16-17(11-3-5-12(22)6-4-11)18-19(23-10-24-20(18)29-16)25-13-7-8-15(26)14(9-13)21(27)28/h3-10,26H,2H2,1H3,(H,27,28)(H,23,24,25)