4-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(cyclopropylamino)-2-keto-1-methyl-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C13H17N3O3S MolecularWeight: 295.35738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SC(C)C(=O)NC2CC2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SC(C)C(=O)NC2CC2)C(=O)O

InChI

InChI=1S/C13H17N3O3S/c1-6-10(13(18)19)12(15-8(3)14-6)20-7(2)11(17)16-9-4-5-9/h7,9H,4-5H2,1-3H3,(H,16,17)(H,18,19)