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

Systemtic Name: 2,5-dimethyl-3-[2-(methylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2,5-dimethyl-3-[2-(methylamino)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-3-[2-(methylamino)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 2,5-dimethyl-3-[2-(methylamino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(methylamino)ethyl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C12H12N3O4S- MolecularWeight: 294.30638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O4S/c1-5-8-10(20-9(5)12(18)19)14-6(2)15(11(8)17)4-7(16)13-3/h4H2,1-3H3,(H,13,16)(H,18,19)/p-1