ethyl 5-methyl-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-(1-piperidin-1-iumylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[NH+]3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[NH+]3CCCCC3)C

InChI

InChI=1S/C16H21N3O3S/c1-3-22-16(21)13-10(2)12-14(20)17-11(18-15(12)23-13)9-19-7-5-4-6-8-19/h3-9H2,1-2H3,(H,17,18,20)/p+1