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

Systemtic Name: 4-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 4-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 4-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Formula: C19H11BrN3O2S- MolecularWeight: 425.27854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)C(=O)[O-])Br

InChI

InChI=1S/C19H12BrN3O2S/c20-13-5-1-11(2-6-13)15-9-26-18-16(15)17(21-10-22-18)23-14-7-3-12(4-8-14)19(24)25/h1-10H,(H,24,25)(H,21,22,23)/p-1