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

Systemtic Name: 2-[4-[[5-ethyl-2-(5-iodanyl-4-methyl-thiophen-2-yl)-6-methyl-pyrimidin-4-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-ethyl-2-(5-iodo-4-methyl-2-thienyl)-6-methyl-pyrimidin-4-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[5-ethyl-2-(5-iodo-4-methyl-2-thiophenyl)-6-methyl-4-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[5-ethyl-2-(5-iodo-4-methylthiophen-2-yl)-6-methylpyrimidin-4-yl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[5-ethyl-2-(5-iodo-4-methyl-2-thienyl)-6-methyl-pyrimidin-4-yl]amino]phenyl]acetic acid Formula: C20H20IN3O2S MolecularWeight: 493.36117

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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)I)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20IN3O2S/c1-4-15-12(3)22-20(16-9-11(2)18(21)27-16)24-19(15)23-14-7-5-13(6-8-14)10-17(25)26/h5-9H,4,10H2,1-3H3,(H,25,26)(H,22,23,24)