2-[[4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]benzoyl]amino]acetic acid Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)C(=O)NCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)C(=O)NCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O3S/c1-28-20-23-16(13-5-3-2-4-6-13)11-17(24-20)22-15-9-7-14(8-10-15)19(27)21-12-18(25)26/h2-11H,12H2,1H3,(H,21,27)(H,25,26)(H,22,23,24)