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

Systemtic Name: 2,4-dimethyl-6-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(isopropylamino)-2-keto-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C12H17N3O3S MolecularWeight: 283.34668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)NC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)NC(C)C)C(=O)O

InChI

InChI=1S/C12H17N3O3S/c1-6(2)13-9(16)5-19-11-10(12(17)18)7(3)14-8(4)15-11/h6H,5H2,1-4H3,(H,13,16)(H,17,18)