ethyl 3-(cyanomethyl)-2,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-(cyanomethyl)-2,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-(cyanomethyl)-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(cyanomethyl)-2,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(cyanomethyl)-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(cyanomethyl)-4-keto-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC#N)C)C

InChI

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