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

Systemtic Name: 2-[4-[[2-(5-bromanyl-4-methyl-thiophen-2-yl)-6-ethyl-5-prop-2-enyl-pyrimidin-4-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-allyl-2-(5-bromo-4-methyl-2-thienyl)-6-ethyl-pyrimidin-4-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[2-(5-bromo-4-methyl-2-thiophenyl)-6-ethyl-5-prop-2-enyl-4-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[2-(5-bromo-4-methylthiophen-2-yl)-6-ethyl-5-prop-2-enylpyrimidin-4-yl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[5-allyl-2-(5-bromo-4-methyl-2-thienyl)-6-ethyl-pyrimidin-4-yl]amino]phenyl]acetic acid Formula: C22H22BrN3O2S MolecularWeight: 472.39798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O2S/c1-4-6-16-17(5-2)25-22(18-11-13(3)20(23)29-18)26-21(16)24-15-9-7-14(8-10-15)12-19(27)28/h4,7-11H,1,5-6,12H2,2-3H3,(H,27,28)(H,24,25,26)