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

Systemtic Name: 2-ethyl-4-methyl-6-[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-[2-(isopropylamino)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-[1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-[[2-(isopropylamino)-2-keto-1-methyl-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)SC(C)C(=O)NC(C)C)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SC(C)C(=O)NC(C)C)C(=O)O)C

InChI

InChI=1S/C14H21N3O3S/c1-6-10-16-8(4)11(14(19)20)13(17-10)21-9(5)12(18)15-7(2)3/h7,9H,6H2,1-5H3,(H,15,18)(H,19,20)