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

Systemtic Name: 2-[4-[[5,6-diethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[5,6-diethyl-2-(5-methyl-2-thienyl)pyrimidin-4-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[5,6-diethyl-2-(5-methyl-2-thiophenyl)-4-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[5,6-diethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-yl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[5,6-diethyl-2-(5-methyl-2-thienyl)pyrimidin-4-yl]amino]phenyl]acetic acid Formula: C21H23N3O2S MolecularWeight: 381.49122

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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)C)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-4-16-17(5-2)23-21(18-11-6-13(3)27-18)24-20(16)22-15-9-7-14(8-10-15)12-19(25)26/h6-11H,4-5,12H2,1-3H3,(H,25,26)(H,22,23,24)