2,4-dimethyl-6-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethyl-6-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(1,1-dimethylpropylamino)-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(tert-amylamino)-2-keto-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CSC1=NC(=NC(=C1C(=O)O)C)C

Isomeric SMILES

CCC(C)(C)NC(=O)CSC1=NC(=NC(=C1C(=O)O)C)C

InChI

InChI=1S/C14H21N3O3S/c1-6-14(4,5)17-10(18)7-21-12-11(13(19)20)8(2)15-9(3)16-12/h6-7H2,1-5H3,(H,17,18)(H,19,20)