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

Systemtic Name: 4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-keto-2-(sec-butylamino)ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C13H19N3O3S MolecularWeight: 297.37326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3S/c1-5-7(2)14-10(17)6-20-12-11(13(18)19)8(3)15-9(4)16-12/h7H,5-6H2,1-4H3,(H,14,17)(H,18,19)