2-butylsulfanyl-9-[[3-chloranyl-2,6-bis(fluoranyl)phenyl]methyl]purine

Systemtic Name: 2-butylsulfanyl-9-[[3-chloranyl-2,6-bis(fluoranyl)phenyl]methyl]purine Openeye Name: 2-butylsulfanyl-9-[(3-chloro-2,6-difluoro-phenyl)methyl]purine CAS Name: 2-(butylthio)-9-[(3-chloro-2,6-difluorophenyl)methyl]purine IUPAC Name: 2-butylsulfanyl-9-[(3-chloro-2,6-difluorophenyl)methyl]purine Traditional Name: 2-(butylthio)-9-(3-chloro-2,6-difluoro-benzyl)purine Formula: C16H15ClF2N4S MolecularWeight: 368.831906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=C2C(=N1)N(C=N2)CC3=C(C=CC(=C3F)Cl)F

Isomeric SMILES

CCCCSC1=NC=C2C(=N1)N(C=N2)CC3=C(C=CC(=C3F)Cl)F

InChI

InChI=1S/C16H15ClF2N4S/c1-2-3-6-24-16-20-7-13-15(22-16)23(9-21-13)8-10-12(18)5-4-11(17)14(10)19/h4-5,7,9H,2-3,6,8H2,1H3