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

Systemtic Name: 5-[(diethylazaniumyl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-[(diethylammonio)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-[(diethylammonio)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-[(diethylazaniumyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-[(diethylammonio)methyl]-4-keto-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3S/c1-3-15(4-2)5-7-8-10(16)13-6-14-11(8)19-9(7)12(17)18/h6H,3-5H2,1-2H3,(H,17,18)(H,13,14,16)