2-[[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]benzoyl]amino]acetic acid Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)O)C

InChI

InChI=1S/C17H18N4O4S/c1-10-7-11(2)20-17(19-10)26-9-14(22)21-13-5-3-12(4-6-13)16(25)18-8-15(23)24/h3-7H,8-9H2,1-2H3,(H,18,25)(H,21,22)(H,23,24)