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

Systemtic Name: 4-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-cyclopropyl-4-(1,1-dioxothiolan-3-yl)sulfanyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-cyclopropyl-4-[(1,1-dioxo-3-thiolanyl)thio]-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-cyclopropyl-4-(1,1-dioxothiolan-3-yl)sulfanyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-cyclopropyl-4-[(1,1-diketothiolan-3-yl)thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H16N2O4S2 MolecularWeight: 328.40714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SC3CCS(=O)(=O)C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SC3CCS(=O)(=O)C3)C(=O)O

InChI

InChI=1S/C13H16N2O4S2/c1-7-10(13(16)17)12(15-11(14-7)8-2-3-8)20-9-4-5-21(18,19)6-9/h8-9H,2-6H2,1H3,(H,16,17)