5-methyl-4-oxidanylidene-3-(1-oxidanyl-1-oxidanylidene-butan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-oxidanylidene-3-(1-oxidanyl-1-oxidanylidene-butan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-(1-carboxypropyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-(1-hydroxy-1-oxobutan-2-yl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-(1-hydroxy-1-oxobutan-2-yl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-(1-carboxypropyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C=NC2=C(C1=O)C(=C(S2)C(=O)O)C

Isomeric SMILES

CCC(C(=O)O)N1C=NC2=C(C1=O)C(=C(S2)C(=O)O)C

InChI

InChI=1S/C12H12N2O5S/c1-3-6(11(16)17)14-4-13-9-7(10(14)15)5(2)8(20-9)12(18)19/h4,6H,3H2,1-2H3,(H,16,17)(H,18,19)