5-chloranyl-2-methylsulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[3-(4-morpholin-4-iumyl)propyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-(3-morpholin-4-ium-4-ylpropyl)pyrimidine-4-carboxamide Formula: C13H20ClN4O2S+ MolecularWeight: 331.8415

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCCC[NH+]2CCOCC2)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCCC[NH+]2CCOCC2)Cl

InChI

InChI=1S/C13H19ClN4O2S/c1-21-13-16-9-10(14)11(17-13)12(19)15-3-2-4-18-5-7-20-8-6-18/h9H,2-8H2,1H3,(H,15,19)/p+1