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

Systemtic Name: 4-[(5,6-diethyl-2-thiophen-2-yl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[[5,6-diethyl-2-(2-thienyl)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[(5,6-diethyl-2-thiophen-2-yl-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(5,6-diethyl-2-thiophen-2-ylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[[5,6-diethyl-2-(2-thienyl)pyrimidin-4-yl]amino]benzoic 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)C(=O)O)C3=CC=CS3)CC

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S/c1-3-14-15(4-2)21-18(16-6-5-11-25-16)22-17(14)20-13-9-7-12(8-10-13)19(23)24/h5-11H,3-4H2,1-2H3,(H,23,24)(H,20,21,22)