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

Systemtic Name: 5-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-chloranyl-benzoate Openeye Name: 5-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-chloro-benzoate CAS Name: 5-[[5-(4-bromophenyl)-6-ethyl-4-thieno[2,3-d]pyrimidinyl]amino]-2-chlorobenzoate IUPAC Name: 5-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]-2-chlorobenzoate Traditional Name: 5-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-chloro-benzoate Formula: C21H14BrClN3O2S- MolecularWeight: 487.77676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)NC3=CC(=C(C=C3)Cl)C(=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)NC3=CC(=C(C=C3)Cl)C(=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrClN3O2S/c1-2-16-17(11-3-5-12(22)6-4-11)18-19(24-10-25-20(18)29-16)26-13-7-8-15(23)14(9-13)21(27)28/h3-10H,2H2,1H3,(H,27,28)(H,24,25,26)/p-1