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

Systemtic Name: 2-[4-[[2-(5-bromanylthiophen-2-yl)-5,6-diethyl-pyrimidin-4-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[2-(5-bromo-2-thienyl)-5,6-diethyl-pyrimidin-4-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[2-(5-bromo-2-thiophenyl)-5,6-diethyl-4-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[2-(5-bromothiophen-2-yl)-5,6-diethylpyrimidin-4-yl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[2-(5-bromo-2-thienyl)-5,6-diethyl-pyrimidin-4-yl]amino]phenyl]acetic acid Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O2S/c1-3-14-15(4-2)23-20(16-9-10-17(21)27-16)24-19(14)22-13-7-5-12(6-8-13)11-18(25)26/h5-10H,3-4,11H2,1-2H3,(H,25,26)(H,22,23,24)