4-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[2-(2,5-dioxo-1-pyrrolidinyl)ethylthio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 2,4-dimethyl-6-(2-succinimidoethylthio)pyrimidine-5-carboxylic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCCN2C(=O)CCC2=O)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCCN2C(=O)CCC2=O)C(=O)O

InChI

InChI=1S/C13H15N3O4S/c1-7-11(13(19)20)12(15-8(2)14-7)21-6-5-16-9(17)3-4-10(16)18/h3-6H2,1-2H3,(H,19,20)