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

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

Isomeric SMILES

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

InChI

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