2-butylsulfanyl-9-[(4-chloranyl-2-fluoranyl-phenyl)methyl]purin-6-amine

Systemtic Name: 2-butylsulfanyl-9-[(4-chloranyl-2-fluoranyl-phenyl)methyl]purin-6-amine Openeye Name: 2-butylsulfanyl-9-[(4-chloro-2-fluoro-phenyl)methyl]purin-6-amine CAS Name: 2-(butylthio)-9-[(4-chloro-2-fluorophenyl)methyl]-6-purinamine IUPAC Name: 2-butylsulfanyl-9-[(4-chloro-2-fluorophenyl)methyl]purin-6-amine Traditional Name: [2-(butylthio)-9-(4-chloro-2-fluoro-benzyl)purin-6-yl]amine Formula: C16H17ClFN5S MolecularWeight: 365.856083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C16H17ClFN5S/c1-2-3-6-24-16-21-14(19)13-15(22-16)23(9-20-13)8-10-4-5-11(17)7-12(10)18/h4-5,7,9H,2-3,6,8H2,1H3,(H2,19,21,22)