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

Systemtic Name: 2-[4-[[5,6-diethyl-2-(5-methylsulfanylthiophen-2-yl)pyrimidin-4-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[5,6-diethyl-2-(5-methylsulfanyl-2-thienyl)pyrimidin-4-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[5,6-diethyl-2-[5-(methylthio)-2-thiophenyl]-4-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[5,6-diethyl-2-(5-methylsulfanylthiophen-2-yl)pyrimidin-4-yl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[5,6-diethyl-2-[5-(methylthio)-2-thienyl]pyrimidin-4-yl]amino]phenyl]acetic acid Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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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)SC)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-4-15-16(5-2)23-21(17-10-11-19(27-3)28-17)24-20(15)22-14-8-6-13(7-9-14)12-18(25)26/h6-11H,4-5,12H2,1-3H3,(H,25,26)(H,22,23,24)