2-ethyl-4-methyl-6-[1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-ethyl-4-methyl-6-[1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-(1-methyl-2,5-dioxo-pyrrolidin-3-yl)sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-[(1-methyl-2,5-dioxo-3-pyrrolidinyl)thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2,5-diketo-1-methyl-pyrrolidin-3-yl)thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SC2CC(=O)N(C2=O)C)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SC2CC(=O)N(C2=O)C)C(=O)O)C

InChI

InChI=1S/C13H15N3O4S/c1-4-8-14-6(2)10(13(19)20)11(15-8)21-7-5-9(17)16(3)12(7)18/h7H,4-5H2,1-3H3,(H,19,20)