ethyl 3-(cyanomethyl)-2,5-dimethyl-4-oxidanylidene-thieno[3,4-d]pyrimidine-7-carboxylate

Systemtic Name: ethyl 3-(cyanomethyl)-2,5-dimethyl-4-oxidanylidene-thieno[3,4-d]pyrimidine-7-carboxylate Openeye Name: ethyl 3-(cyanomethyl)-2,5-dimethyl-4-oxo-thieno[3,4-d]pyrimidine-7-carboxylate CAS Name: 3-(cyanomethyl)-2,5-dimethyl-4-oxo-7-thieno[3,4-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(cyanomethyl)-2,5-dimethyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate Traditional Name: 3-(cyanomethyl)-4-keto-2,5-dimethyl-thieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C(=N2)C)CC#N

Isomeric SMILES

CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C(=N2)C)CC#N

InChI

InChI=1S/C13H13N3O3S/c1-4-19-13(18)11-10-9(7(2)20-11)12(17)16(6-5-14)8(3)15-10/h4,6H2,1-3H3