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

Systemtic Name: 5-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoate Openeye Name: 5-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxy-benzoate CAS Name: 5-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]amino]-2-hydroxybenzoate IUPAC Name: 5-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxybenzoate Traditional Name: 5-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxy-benzoate Formula: C19H11BrN3O3S- MolecularWeight: 441.27794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrN3O3S/c20-11-3-1-10(2-4-11)14-8-27-18-16(14)17(21-9-22-18)23-12-5-6-15(24)13(7-12)19(25)26/h1-9,24H,(H,25,26)(H,21,22,23)/p-1