5-[[4-[(6-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-[(6-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[(6-chloro-2-methylsulfanyl-pyrimidin-4-yl)amino]phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[[6-chloro-2-(methylthio)-4-pyrimidinyl]amino]phenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]phenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[[6-chloro-2-(methylthio)pyrimidin-4-yl]amino]phenoxy]methyl]-2-furoic acid Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)Cl)NC2=CC=C(C=C2)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CSC1=NC(=CC(=N1)Cl)NC2=CC=C(C=C2)OCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C17H14ClN3O4S/c1-26-17-20-14(18)8-15(21-17)19-10-2-4-11(5-3-10)24-9-12-6-7-13(25-12)16(22)23/h2-8H,9H2,1H3,(H,22,23)(H,19,20,21)