5-chloranyl-2-methylsulfanyl-N-(4-phenylbutyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-(4-phenylbutyl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-(4-phenylbutyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-(4-phenylbutyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-(4-phenylbutyl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-(4-phenylbutyl)pyrimidine-4-carboxamide Formula: C16H18ClN3OS MolecularWeight: 335.85162

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCCCCC2=CC=CC=C2)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCCCCC2=CC=CC=C2)Cl

InChI

InChI=1S/C16H18ClN3OS/c1-22-16-19-11-13(17)14(20-16)15(21)18-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,18,21)