methyl 5-ethoxycarbonylsulfanyl-2-methyl-4-oxidanylidene-1H-thieno[3,4-d]pyrimidine-7-carboxylate

Systemtic Name: methyl 5-ethoxycarbonylsulfanyl-2-methyl-4-oxidanylidene-1H-thieno[3,4-d]pyrimidine-7-carboxylate Openeye Name: methyl 5-ethoxycarbonylsulfanyl-2-methyl-4-oxo-1H-thieno[3,4-d]pyrimidine-7-carboxylate CAS Name: 5-(ethoxycarbonylthio)-2-methyl-4-oxo-1H-thieno[3,4-d]pyrimidine-7-carboxylic acid methyl ester IUPAC Name: methyl 5-ethoxycarbonylsulfanyl-2-methyl-4-oxo-1H-thieno[3,4-d]pyrimidine-7-carboxylate Traditional Name: 5-(carbethoxythio)-4-keto-2-methyl-1H-thieno[3,4-d]pyrimidine-7-carboxylic acid methyl ester Formula: C12H12N2O5S2 MolecularWeight: 328.36408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)SC1=C2C(=C(S1)C(=O)OC)NC(=NC2=O)C

Isomeric SMILES

CCOC(=O)SC1=C2C(=C(S1)C(=O)OC)NC(=NC2=O)C

InChI

InChI=1S/C12H12N2O5S2/c1-4-19-12(17)21-11-6-7(8(20-11)10(16)18-3)13-5(2)14-9(6)15/h4H2,1-3H3,(H,13,14,15)