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

Systemtic Name: 3-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 3-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid CAS Name: 3-[[5-(4-bromophenyl)-6-ethyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 3-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O2S/c1-2-16-17(12-6-8-14(22)9-7-12)18-19(23-11-24-20(18)28-16)25-15-5-3-4-13(10-15)21(26)27/h3-11H,2H2,1H3,(H,26,27)(H,23,24,25)