4-azanyl-2-ethoxycarbonyl-5-methylsulfanyl-thieno[3,4-d]pyrimidine-7-carboxylic acid

Systemtic Name: 4-azanyl-2-ethoxycarbonyl-5-methylsulfanyl-thieno[3,4-d]pyrimidine-7-carboxylic acid Openeye Name: 4-amino-2-ethoxycarbonyl-5-methylsulfanyl-thieno[3,4-d]pyrimidine-7-carboxylic acid CAS Name: 4-amino-2-ethoxycarbonyl-5-(methylthio)-7-thieno[3,4-d]pyrimidinecarboxylic acid IUPAC Name: 4-amino-2-ethoxycarbonyl-5-methylsulfanylthieno[3,4-d]pyrimidine-7-carboxylic acid Traditional Name: 4-amino-2-carbethoxy-5-(methylthio)thieno[3,4-d]pyrimidine-7-carboxylic acid Formula: C11H11N3O4S2 MolecularWeight: 313.35274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(SC(=C2C(=N1)N)SC)C(=O)O

Isomeric SMILES

CCOC(=O)C1=NC2=C(SC(=C2C(=N1)N)SC)C(=O)O

InChI

InChI=1S/C11H11N3O4S2/c1-3-18-10(17)8-13-5-4(7(12)14-8)11(19-2)20-6(5)9(15)16/h3H2,1-2H3,(H,15,16)(H2,12,13,14)