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

Systemtic Name: 5-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-chloranyl-benzoate Openeye Name: 5-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-chloro-benzoate CAS Name: 5-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]amino]-2-chlorobenzoate IUPAC Name: 5-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-chlorobenzoate Traditional Name: 5-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-chloro-benzoate Formula: C19H10BrClN3O2S- MolecularWeight: 459.7236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H11BrClN3O2S/c20-11-3-1-10(2-4-11)14-8-27-18-16(14)17(22-9-23-18)24-12-5-6-15(21)13(7-12)19(25)26/h1-9H,(H,25,26)(H,22,23,24)/p-1