4-methyl-6-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-6-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-isopropyl-4-methyl-6-[1-methyl-2-(methylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-[[1-(methylamino)-1-oxopropan-2-yl]thio]-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-[1-(methylamino)-1-oxopropan-2-yl]sulfanyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 2-isopropyl-4-[[2-keto-1-methyl-2-(methylamino)ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3S/c1-6(2)10-15-7(3)9(13(18)19)12(16-10)20-8(4)11(17)14-5/h6,8H,1-5H3,(H,14,17)(H,18,19)