2-[2-[2-[(4-fluoranylpyrimidin-2-yl)-methyl-amino]ethanoylamino]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[2-[(4-fluoranylpyrimidin-2-yl)-methyl-amino]ethanoylamino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[[2-[(4-fluoropyrimidin-2-yl)-methyl-amino]acetyl]amino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[[2-[(4-fluoro-2-pyrimidinyl)-methylamino]-1-oxoethyl]amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[[2-[(4-fluoropyrimidin-2-yl)-methylamino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[[2-[(4-fluoropyrimidin-2-yl)-methyl-amino]acetyl]amino]thiazol-4-yl]acetic acid Formula: C12H12FN5O3S MolecularWeight: 325.318783

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=NC(=CS1)CC(=O)O)C2=NC=CC(=N2)F

Isomeric SMILES

CN(CC(=O)NC1=NC(=CS1)CC(=O)O)C2=NC=CC(=N2)F

InChI

InChI=1S/C12H12FN5O3S/c1-18(11-14-3-2-8(13)16-11)5-9(19)17-12-15-7(6-22-12)4-10(20)21/h2-3,6H,4-5H2,1H3,(H,20,21)(H,15,17,19)