5-methyl-3-(3-oxidanidyl-3-oxidanylidene-propyl)-4-oxidanylidene-2-propyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-3-(3-oxidanidyl-3-oxidanylidene-propyl)-4-oxidanylidene-2-propyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-3-(3-oxido-3-oxo-propyl)-4-oxo-2-propyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-(3-oxido-3-oxopropyl)-4-oxo-2-propyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-3-(3-oxido-3-oxopropyl)-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-(3-keto-3-oxido-propyl)-5-methyl-2-propyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C14H14N2O5S-2 MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=C(S2)C(=O)[O-])C)C(=O)N1CCC(=O)[O-]

Isomeric SMILES

CCCC1=NC2=C(C(=C(S2)C(=O)[O-])C)C(=O)N1CCC(=O)[O-]

InChI

InChI=1S/C14H16N2O5S/c1-3-4-8-15-12-10(7(2)11(22-12)14(20)21)13(19)16(8)6-5-9(17)18/h3-6H2,1-2H3,(H,17,18)(H,20,21)/p-2