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

Systemtic Name: methyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 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-carboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C14H18N3O4S+ MolecularWeight: 324.37542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4S/c1-8-10-12(18)15-9(7-17-3-5-21-6-4-17)16-13(10)22-11(8)14(19)20-2/h3-7H2,1-2H3,(H,15,16,18)/p+1