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

Systemtic Name: 4-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzamide Openeye Name: 4-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzamide CAS Name: 4-[[5-(4-bromophenyl)-6-ethyl-4-thieno[2,3-d]pyrimidinyl]amino]benzamide IUPAC Name: 4-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]benzamide Traditional Name: 4-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzamide Formula: C21H17BrN4OS MolecularWeight: 453.35488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN4OS/c1-2-16-17(12-3-7-14(22)8-4-12)18-20(24-11-25-21(18)28-16)26-15-9-5-13(6-10-15)19(23)27/h3-11H,2H2,1H3,(H2,23,27)(H,24,25,26)