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

Systemtic Name: ethyl 4-cyclopentylsulfanyl-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-cyclopentylsulfanyl-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(cyclopentylthio)-5-methyl-2-(4-morpholin-4-iumylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopentylsulfanyl-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(cyclopentylthio)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SC3CCCC3)C[NH+]4CCOCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SC3CCCC3)C[NH+]4CCOCC4)C

InChI

InChI=1S/C20H27N3O3S2/c1-3-26-20(24)17-13(2)16-18(27-14-6-4-5-7-14)21-15(22-19(16)28-17)12-23-8-10-25-11-9-23/h14H,3-12H2,1-2H3/p+1