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

Systemtic Name: 2,4-dimethyl-6-[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(isobutylamino)-1-methyl-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-[1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(isobutylamino)-2-keto-1-methyl-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C14H21N3O3S MolecularWeight: 311.39984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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