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

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-(2-morpholin-4-ium-4-ylethyl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-(2-morpholin-4-ium-4-ylethyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-(2-morpholin-4-ium-4-ylethyl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-(2-morpholin-4-ium-4-ylethyl)pyrimidine-4-carboxamide Formula: C12H18ClN4O2S+ MolecularWeight: 317.81492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN4O2S/c1-20-12-15-8-9(13)10(16-12)11(18)14-2-3-17-4-6-19-7-5-17/h8H,2-7H2,1H3,(H,14,18)/p+1