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

Systemtic Name: 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(4-morpholin-4-iumylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(morpholin-4-ium-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCOCC3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCOCC3)C(=O)[O-]

InChI

InChI=1S/C13H15N3O4S/c1-7-9-11(17)14-8(6-16-2-4-20-5-3-16)15-12(9)21-10(7)13(18)19/h2-6H2,1H3,(H,18,19)(H,14,15,17)