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

Systemtic Name: 4-[2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2,5-dioxopyrrolidin-3-yl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2,5-dioxo-3-pyrrolidinyl)thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2,5-dioxopyrrolidin-3-yl)sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2,5-diketopyrrolidin-3-yl)thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SC2CC(=O)NC2=O)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SC2CC(=O)NC2=O)C(=O)O)C

InChI

InChI=1S/C12H13N3O4S/c1-3-7-13-5(2)9(12(18)19)11(14-7)20-6-4-8(16)15-10(6)17/h6H,3-4H2,1-2H3,(H,18,19)(H,15,16,17)