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

Systemtic Name: ethyl 5-methyl-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-(2-morpholin-4-ium-4-ylethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H22N3O4S+ MolecularWeight: 352.42858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-3-23-16(21)13-11(2)12-14(24-13)17-10-19(15(12)20)5-4-18-6-8-22-9-7-18/h10H,3-9H2,1-2H3/p+1