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

Systemtic Name: 2-[4-[[5,6-diethyl-2-(5-iodanyl-4-methyl-thiophen-2-yl)pyrimidin-4-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[5,6-diethyl-2-(5-iodo-4-methyl-2-thienyl)pyrimidin-4-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[5,6-diethyl-2-(5-iodo-4-methyl-2-thiophenyl)-4-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[5,6-diethyl-2-(5-iodo-4-methylthiophen-2-yl)pyrimidin-4-yl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[5,6-diethyl-2-(5-iodo-4-methyl-2-thienyl)pyrimidin-4-yl]amino]phenyl]acetic acid Formula: C21H22IN3O2S MolecularWeight: 507.38775

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H22IN3O2S/c1-4-15-16(5-2)24-21(17-10-12(3)19(22)28-17)25-20(15)23-14-8-6-13(7-9-14)11-18(26)27/h6-10H,4-5,11H2,1-3H3,(H,26,27)(H,23,24,25)