2-[2-[methyl(pyrimidin-2-yl)amino]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[methyl(pyrimidin-2-yl)amino]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[methyl(2-pyrimidinyl)amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[methyl(2-pyrimidyl)amino]acetyl]amino]-4-(methylthio)butyric acid Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC(CCSC)C(=O)O)C1=NC=CC=N1

Isomeric SMILES

CN(CC(=O)NC(CCSC)C(=O)O)C1=NC=CC=N1

InChI

InChI=1S/C12H18N4O3S/c1-16(12-13-5-3-6-14-12)8-10(17)15-9(11(18)19)4-7-20-2/h3,5-6,9H,4,7-8H2,1-2H3,(H,15,17)(H,18,19)