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

Systemtic Name: 2,5-dimethyl-4-oxidanylidene-3-[(2R)-1-oxidanyl-1-oxidanylidene-butan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-[(1R)-1-carboxypropyl]-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-[(2R)-1-hydroxy-1-oxobutan-2-yl]-2,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-[(2R)-1-hydroxy-1-oxobutan-2-yl]-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-[(1R)-1-carboxypropyl]-4-keto-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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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)C

Isomeric SMILES

CC[C@H](C(=O)O)N1C(=NC2=C(C1=O)C(=C(S2)C(=O)O)C)C

InChI

InChI=1S/C13H14N2O5S/c1-4-7(12(17)18)15-6(3)14-10-8(11(15)16)5(2)9(21-10)13(19)20/h7H,4H2,1-3H3,(H,17,18)(H,19,20)/t7-/m1/s1