9-[[2,6-bis(fluoranyl)phenyl]methyl]-2-(2-methylpropylsulfanyl)purin-6-amine

Systemtic Name: 9-[[2,6-bis(fluoranyl)phenyl]methyl]-2-(2-methylpropylsulfanyl)purin-6-amine Openeye Name: 9-[(2,6-difluorophenyl)methyl]-2-isobutylsulfanyl-purin-6-amine CAS Name: 9-[(2,6-difluorophenyl)methyl]-2-(2-methylpropylthio)-6-purinamine IUPAC Name: 9-[(2,6-difluorophenyl)methyl]-2-(2-methylpropylsulfanyl)purin-6-amine Traditional Name: [9-(2,6-difluorobenzyl)-2-(isobutylthio)purin-6-yl]amine Formula: C16H17F2N5S MolecularWeight: 349.401486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(C(=N1)N)N=CN2CC3=C(C=CC=C3F)F

Isomeric SMILES

CC(C)CSC1=NC2=C(C(=N1)N)N=CN2CC3=C(C=CC=C3F)F

InChI

InChI=1S/C16H17F2N5S/c1-9(2)7-24-16-21-14(19)13-15(22-16)23(8-20-13)6-10-11(17)4-3-5-12(10)18/h3-5,8-9H,6-7H2,1-2H3,(H2,19,21,22)