2-[4-[[2-(5-bromanylthiophen-2-yl)-6-ethyl-5-prop-2-enyl-pyrimidin-4-yl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[2-(5-bromanylthiophen-2-yl)-6-ethyl-5-prop-2-enyl-pyrimidin-4-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-allyl-2-(5-bromo-2-thienyl)-6-ethyl-pyrimidin-4-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[2-(5-bromo-2-thiophenyl)-6-ethyl-5-prop-2-enyl-4-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[2-(5-bromothiophen-2-yl)-6-ethyl-5-prop-2-enylpyrimidin-4-yl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[5-allyl-2-(5-bromo-2-thienyl)-6-ethyl-pyrimidin-4-yl]amino]phenyl]acetic acid Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=C(S2)Br)NC3=CC=C(C=C3)CC(=O)O)CC=C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=C(S2)Br)NC3=CC=C(C=C3)CC(=O)O)CC=C

InChI

InChI=1S/C21H20BrN3O2S/c1-3-5-15-16(4-2)24-21(17-10-11-18(22)28-17)25-20(15)23-14-8-6-13(7-9-14)12-19(26)27/h3,6-11H,1,4-5,12H2,2H3,(H,26,27)(H,23,24,25)