ethyl 5-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-thieno[3,4-d]pyrimidine-7-carboxylate

Systemtic Name: ethyl 5-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-thieno[3,4-d]pyrimidine-7-carboxylate Openeye Name: ethyl 5-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-thieno[3,4-d]pyrimidine-7-carboxylate CAS Name: 5-methyl-3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-7-thieno[3,4-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxothieno[3,4-d]pyrimidine-7-carboxylate Traditional Name: 4-keto-5-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C17H24N3O4S+ MolecularWeight: 366.45516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C=N2)CCC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C=N2)CCC[NH+]3CCOCC3

InChI

InChI=1S/C17H23N3O4S/c1-3-24-17(22)15-14-13(12(2)25-15)16(21)20(11-18-14)6-4-5-19-7-9-23-10-8-19/h11H,3-10H2,1-2H3/p+1