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

Systemtic Name: 2-[4-[(5-ethyl-6-methyl-2-thiophen-3-yl-pyrimidin-4-yl)amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-ethyl-6-methyl-2-(3-thienyl)pyrimidin-4-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[5-ethyl-6-methyl-2-(3-thiophenyl)-4-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(5-ethyl-6-methyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetic acid Traditional Name: 2-[4-[[5-ethyl-6-methyl-2-(3-thienyl)pyrimidin-4-yl]amino]phenyl]acetic acid Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1NC2=CC=C(C=C2)CC(=O)O)C3=CSC=C3)C

Isomeric SMILES

CCC1=C(N=C(N=C1NC2=CC=C(C=C2)CC(=O)O)C3=CSC=C3)C

InChI

InChI=1S/C19H19N3O2S/c1-3-16-12(2)20-18(14-8-9-25-11-14)22-19(16)21-15-6-4-13(5-7-15)10-17(23)24/h4-9,11H,3,10H2,1-2H3,(H,23,24)(H,20,21,22)