2-[4-[(5-ethyl-6-methyl-2-thiophen-2-yl-pyrimidin-4-yl)amino]-3-fluoranyl-phenyl]ethanoic acid

Systemtic Name: 2-[4-[(5-ethyl-6-methyl-2-thiophen-2-yl-pyrimidin-4-yl)amino]-3-fluoranyl-phenyl]ethanoic acid Openeye Name: 2-[4-[[5-ethyl-6-methyl-2-(2-thienyl)pyrimidin-4-yl]amino]-3-fluoro-phenyl]acetic acid CAS Name: 2-[4-[(5-ethyl-6-methyl-2-thiophen-2-yl-4-pyrimidinyl)amino]-3-fluorophenyl]acetic acid IUPAC Name: 2-[4-[(5-ethyl-6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]-3-fluorophenyl]acetic acid Traditional Name: 2-[4-[[5-ethyl-6-methyl-2-(2-thienyl)pyrimidin-4-yl]amino]-3-fluoro-phenyl]acetic acid Formula: C19H18FN3O2S MolecularWeight: 371.428523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1NC2=C(C=C(C=C2)CC(=O)O)F)C3=CC=CS3)C

Isomeric SMILES

CCC1=C(N=C(N=C1NC2=C(C=C(C=C2)CC(=O)O)F)C3=CC=CS3)C

InChI

InChI=1S/C19H18FN3O2S/c1-3-13-11(2)21-19(16-5-4-8-26-16)23-18(13)22-15-7-6-12(9-14(15)20)10-17(24)25/h4-9H,3,10H2,1-2H3,(H,24,25)(H,21,22,23)