4-[(5-carboxyfuran-2-yl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(5-carboxyfuran-2-yl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[(5-carboxy-2-furyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[(5-carboxy-2-furanyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[(5-carboxyfuran-2-yl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[(5-carboxy-2-furyl)methylthio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C12H10N2O6S MolecularWeight: 310.2826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=CC=C(O2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=CC=C(O2)C(=O)O)C(=O)O

InChI

InChI=1S/C12H10N2O6S/c1-5-8(11(17)18)9(14-12(19)13-5)21-4-6-2-3-7(20-6)10(15)16/h2-3H,4H2,1H3,(H,15,16)(H,17,18)(H,13,14,19)