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

Systemtic Name: ethyl 4-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(3-methoxy-3-oxo-propyl)sulfanyl-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(3-methoxy-3-oxopropyl)thio]-5-methyl-2-(1-piperidin-1-iumylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methoxy-3-oxopropyl)sulfanyl-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(3-keto-3-methoxy-propyl)thio]-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H28N3O4S2+ MolecularWeight: 438.58402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCCC(=O)OC)C[NH+]3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCCC(=O)OC)C[NH+]3CCCCC3)C

InChI

InChI=1S/C20H27N3O4S2/c1-4-27-20(25)17-13(2)16-18(28-11-8-15(24)26-3)21-14(22-19(16)29-17)12-23-9-6-5-7-10-23/h4-12H2,1-3H3/p+1