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

Systemtic Name: 4-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(1,1-dioxothiolan-3-yl)sulfanyl-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(1,1-dioxo-3-thiolanyl)thio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(1,1-dioxothiolan-3-yl)sulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[(1,1-diketothiolan-3-yl)thio]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S2/c1-7(2)11-14-8(3)10(13(16)17)12(15-11)20-9-4-5-21(18,19)6-9/h7,9H,4-6H2,1-3H3,(H,16,17)