4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-[[2-keto-2-(sec-butylamino)ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC(=O)NC(C)CC)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC(=O)NC(C)CC)C(=O)O)C

InChI

InChI=1S/C14H21N3O3S/c1-5-8(3)15-11(18)7-21-13-12(14(19)20)9(4)16-10(6-2)17-13/h8H,5-7H2,1-4H3,(H,15,18)(H,19,20)