3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propionamide Formula: C18H16ClFN6OS MolecularWeight: 418.875643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C(=CN2)CCNC(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1=CC2=C(C=C1F)C(=CN2)CCNC(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C18H16ClFN6OS/c19-18-25-16-15(23-9-24-16)17(26-18)28-6-4-14(27)21-5-3-10-8-22-13-2-1-11(20)7-12(10)13/h1-2,7-9,22H,3-6H2,(H,21,27)(H,23,24,25,26)