5-chloranyl-N-hexyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-hexyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-hexyl-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-hexyl-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-hexyl-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-hexyl-2-(methylthio)pyrimidine-4-carboxamide Formula: C12H18ClN3OS MolecularWeight: 287.80882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=NC(=NC=C1Cl)SC

Isomeric SMILES

CCCCCCNC(=O)C1=NC(=NC=C1Cl)SC

InChI

InChI=1S/C12H18ClN3OS/c1-3-4-5-6-7-14-11(17)10-9(13)8-15-12(16-10)18-2/h8H,3-7H2,1-2H3,(H,14,17)