5-methyl-3-[(2R)-1-oxidanidyl-1-oxidanylidene-butan-2-yl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-3-[(2R)-1-oxidanidyl-1-oxidanylidene-butan-2-yl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-[(1R)-1-carboxylatopropyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[(2R)-1-oxido-1-oxobutan-2-yl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-3-[(2R)-1-oxido-1-oxobutan-2-yl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[(1R)-1-carboxylatopropyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C12H10N2O5S-2 MolecularWeight: 294.2832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C=NC2=C(C1=O)C(=C(S2)C(=O)[O-])C

Isomeric SMILES

CC[C@H](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)/p-2/t6-/m1/s1