4-[(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)-methyl-amino]butanoic acid CAS Name: 4-[[[2,4-dimethyl-6-(methylthio)-5-pyrimidinyl]-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)-methylamino]butanoic acid Traditional Name: 4-[[2,4-dimethyl-6-(methylthio)pyrimidine-5-carbonyl]-methyl-amino]butyric acid Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SC)C(=O)N(C)CCCC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SC)C(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C13H19N3O3S/c1-8-11(12(20-4)15-9(2)14-8)13(19)16(3)7-5-6-10(17)18/h5-7H2,1-4H3,(H,17,18)