methyl 2-tert-butyl-4-methyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: methyl 2-tert-butyl-4-methyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: methyl 2-tert-butyl-4-methyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidine-5-carboxylate CAS Name: 2-tert-butyl-4-methyl-6-[2-(4-morpholin-4-iumyl)ethylthio]-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-tert-butyl-4-methyl-6-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 2-tert-butyl-4-methyl-6-(2-morpholin-4-ium-4-ylethylthio)pyrimidine-5-carboxylic acid methyl ester Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)(C)C)SCC[NH+]2CCOCC2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)(C)C)SCC[NH+]2CCOCC2)C(=O)OC

InChI

InChI=1S/C17H27N3O3S/c1-12-13(15(21)22-5)14(19-16(18-12)17(2,3)4)24-11-8-20-6-9-23-10-7-20/h6-11H2,1-5H3/p+1