3-hexyl-2,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 3-hexyl-2,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-hexyl-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-hexyl-2,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-hexyl-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-hexyl-4-keto-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NC2=C(C1=O)C(=C(S2)C(=O)O)C)C

Isomeric SMILES

CCCCCCN1C(=NC2=C(C1=O)C(=C(S2)C(=O)O)C)C

InChI

InChI=1S/C15H20N2O3S/c1-4-5-6-7-8-17-10(3)16-13-11(14(17)18)9(2)12(21-13)15(19)20/h4-8H2,1-3H3,(H,19,20)