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

Systemtic Name: 2-[4-[(5,6-diethyl-2-thiophen-2-yl-pyrimidin-4-yl)amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[5,6-diethyl-2-(2-thienyl)pyrimidin-4-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[(5,6-diethyl-2-thiophen-2-yl-4-pyrimidinyl)amino]phenyl]acetic acid IUPAC Name: 2-[4-[(5,6-diethyl-2-thiophen-2-ylpyrimidin-4-yl)amino]phenyl]acetic acid Traditional Name: 2-[4-[[5,6-diethyl-2-(2-thienyl)pyrimidin-4-yl]amino]phenyl]acetic acid Formula: C20H21N3O2S MolecularWeight: 367.46464

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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=CS3)CC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c1-3-15-16(4-2)22-20(17-6-5-11-26-17)23-19(15)21-14-9-7-13(8-10-14)12-18(24)25/h5-11H,3-4,12H2,1-2H3,(H,24,25)(H,21,22,23)