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

Systemtic Name: ethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C15H20N3O4S+ MolecularWeight: 338.402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[NH+]3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[NH+]3CCOCC3)C

InChI

InChI=1S/C15H19N3O4S/c1-3-22-15(20)12-9(2)11-13(19)16-10(17-14(11)23-12)8-18-4-6-21-7-5-18/h3-8H2,1-2H3,(H,16,17,19)/p+1