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

Systemtic Name: 3-(cyanomethyl)-2-(2-methoxyethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-(cyanomethyl)-2-(2-methoxyethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(cyanomethyl)-2-(2-methoxyethyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 3-(cyanomethyl)-2-(2-methoxyethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(cyanomethyl)-4-keto-2-(2-methoxyethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C13H12N3O4S- MolecularWeight: 306.31708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)CCOC)CC#N)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)CCOC)CC#N)C(=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c1-7-9-11(21-10(7)13(18)19)15-8(3-6-20-2)16(5-4-14)12(9)17/h3,5-6H2,1-2H3,(H,18,19)/p-1