4-[[2-(5-bromanylthiophen-2-yl)-5,6-diethyl-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[2-(5-bromanylthiophen-2-yl)-5,6-diethyl-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[2-(5-bromo-2-thienyl)-5,6-diethyl-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[2-(5-bromo-2-thiophenyl)-5,6-diethyl-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[2-(5-bromothiophen-2-yl)-5,6-diethylpyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[2-(5-bromo-2-thienyl)-5,6-diethyl-pyrimidin-4-yl]amino]benzoic acid Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1NC2=CC=C(C=C2)C(=O)O)C3=CC=C(S3)Br)CC

Isomeric SMILES

CCC1=C(N=C(N=C1NC2=CC=C(C=C2)C(=O)O)C3=CC=C(S3)Br)CC

InChI

InChI=1S/C19H18BrN3O2S/c1-3-13-14(4-2)22-18(15-9-10-16(20)26-15)23-17(13)21-12-7-5-11(6-8-12)19(24)25/h5-10H,3-4H2,1-2H3,(H,24,25)(H,21,22,23)