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

Systemtic Name: 4-methyl-6-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-isopropyl-4-methyl-6-[2-(methylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-[[2-(methylamino)-2-oxoethyl]thio]-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-[2-(methylamino)-2-oxoethyl]sulfanyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 2-isopropyl-4-[[2-keto-2-(methylamino)ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3S/c1-6(2)10-14-7(3)9(12(17)18)11(15-10)19-5-8(16)13-4/h6H,5H2,1-4H3,(H,13,16)(H,17,18)