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

Systemtic Name: 2-[4-[[5-ethyl-2-(5-iodanylthiophen-2-yl)-6-methyl-pyrimidin-4-yl]amino]-3-fluoranyl-phenyl]ethanoic acid Openeye Name: 2-[4-[[5-ethyl-2-(5-iodo-2-thienyl)-6-methyl-pyrimidin-4-yl]amino]-3-fluoro-phenyl]acetic acid CAS Name: 2-[4-[[5-ethyl-2-(5-iodo-2-thiophenyl)-6-methyl-4-pyrimidinyl]amino]-3-fluorophenyl]acetic acid IUPAC Name: 2-[4-[[5-ethyl-2-(5-iodothiophen-2-yl)-6-methylpyrimidin-4-yl]amino]-3-fluorophenyl]acetic acid Traditional Name: 2-[4-[[5-ethyl-2-(5-iodo-2-thienyl)-6-methyl-pyrimidin-4-yl]amino]-3-fluoro-phenyl]acetic acid Formula: C19H17FIN3O2S MolecularWeight: 497.325053

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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=C(S3)I)C

Isomeric SMILES

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

InChI

InChI=1S/C19H17FIN3O2S/c1-3-12-10(2)22-19(15-6-7-16(21)27-15)24-18(12)23-14-5-4-11(8-13(14)20)9-17(25)26/h4-8H,3,9H2,1-2H3,(H,25,26)(H,22,23,24)