3-[2-(butylamino)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 3-[2-(butylamino)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-[2-(butylamino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-[2-(butylamino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-[2-(butylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-[2-(butylamino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)O)C

Isomeric SMILES

CCCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)O)C

InChI

InChI=1S/C14H17N3O4S/c1-3-4-5-15-9(18)6-17-7-16-12-10(13(17)19)8(2)11(22-12)14(20)21/h7H,3-6H2,1-2H3,(H,15,18)(H,20,21)