2-butylsulfanyl-9-[(3-chloranyl-4-fluoranyl-phenyl)methyl]purin-6-amine

Systemtic Name: 2-butylsulfanyl-9-[(3-chloranyl-4-fluoranyl-phenyl)methyl]purin-6-amine Openeye Name: 2-butylsulfanyl-9-[(3-chloro-4-fluoro-phenyl)methyl]purin-6-amine CAS Name: 2-(butylthio)-9-[(3-chloro-4-fluorophenyl)methyl]-6-purinamine IUPAC Name: 2-butylsulfanyl-9-[(3-chloro-4-fluorophenyl)methyl]purin-6-amine Traditional Name: [2-(butylthio)-9-(3-chloro-4-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=CC(=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

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