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

Systemtic Name: 3-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 3-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 3-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[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(=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br)C(=O)[O-]

InChI

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