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

Systemtic Name: 3,5-dimethyl-6-octyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-2-carboxylic acid Openeye Name: 3,5-dimethyl-6-octyl-4-oxo-thieno[2,3-d]pyrimidine-2-carboxylic acid CAS Name: 3,5-dimethyl-6-octyl-4-oxo-2-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3,5-dimethyl-6-octyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid Traditional Name: 4-keto-3,5-dimethyl-6-octyl-thieno[2,3-d]pyrimidine-2-carboxylic acid Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C2=C(S1)N=C(N(C2=O)C)C(=O)O)C

Isomeric SMILES

CCCCCCCCC1=C(C2=C(S1)N=C(N(C2=O)C)C(=O)O)C

InChI

InChI=1S/C17H24N2O3S/c1-4-5-6-7-8-9-10-12-11(2)13-15(23-12)18-14(17(21)22)19(3)16(13)20/h4-10H2,1-3H3,(H,21,22)