4-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(1,1-dioxothiolan-3-yl)sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(1,1-dioxo-3-thiolanyl)thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(1,1-dioxothiolan-3-yl)sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[(1,1-diketothiolan-3-yl)thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C11H14N2O4S2 MolecularWeight: 302.36986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SC2CCS(=O)(=O)C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SC2CCS(=O)(=O)C2)C(=O)O

InChI

InChI=1S/C11H14N2O4S2/c1-6-9(11(14)15)10(13-7(2)12-6)18-8-3-4-19(16,17)5-8/h8H,3-5H2,1-2H3,(H,14,15)