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

Systemtic Name: ethyl 4-chloranyl-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-chloro-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-chloro-5-methyl-2-(4-morpholin-4-iumylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-chloro-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C15H19ClN3O3S+ MolecularWeight: 356.84766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2Cl)C[NH+]3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2Cl)C[NH+]3CCOCC3)C

InChI

InChI=1S/C15H18ClN3O3S/c1-3-22-15(20)12-9(2)11-13(16)17-10(18-14(11)23-12)8-19-4-6-21-7-5-19/h3-8H2,1-2H3/p+1