2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-pyrimidin-2-yl-amino]ethanoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-pyrimidin-2-yl-amino]ethanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)-pyrimidin-2-yl-amino]acetic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]-(2-pyrimidinyl)amino]acetic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)-pyrimidin-2-ylamino]acetic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]-(2-pyrimidyl)amino]acetic acid Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N(CC(=O)O)C1=NC=CC=N1

Isomeric SMILES

CC(CSC(=O)C)C(=O)N(CC(=O)O)C1=NC=CC=N1

InChI

InChI=1S/C12H15N3O4S/c1-8(7-20-9(2)16)11(19)15(6-10(17)18)12-13-4-3-5-14-12/h3-5,8H,6-7H2,1-2H3,(H,17,18)