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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)C)SC2CC(=O)NC2=O)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SC2CC(=O)NC2=O)C(=O)O

InChI

InChI=1S/C13H15N3O4S/c1-5(2)10-14-6(3)9(13(19)20)12(16-10)21-7-4-8(17)15-11(7)18/h5,7H,4H2,1-3H3,(H,19,20)(H,15,17,18)