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

Systemtic Name: 2-ethyl-4-methyl-6-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-[2-(isobutylamino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-[[2-(2-methylpropylamino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-[2-(2-methylpropylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-[[2-(isobutylamino)-2-keto-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)NCC(C)C)C(=O)O)C

Isomeric SMILES

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

InChI

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