5-[(4-methyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-methyl-6-oxidanylidene-2-sulfanylidene-1,3-diazinan-5-yl)methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-methyl-6-oxo-2-thioxo-hexahydropyrimidin-5-yl)methyl]furan-2-carboxylic acid CAS Name: 5-[(4-methyl-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-methyl-6-oxo-2-sulfanylidene-1,3-diazinan-5-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-keto-6-methyl-2-thioxo-hexahydropyrimidin-5-yl)methyl]-2-furoic acid Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(=S)N1)CC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1C(C(=O)NC(=S)N1)CC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C11H12N2O4S/c1-5-7(9(14)13-11(18)12-5)4-6-2-3-8(17-6)10(15)16/h2-3,5,7H,4H2,1H3,(H,15,16)(H2,12,13,14,18)