9-[[2,6-bis(fluoranyl)phenyl]methyl]-2-(3-methylbutylsulfanyl)purin-6-amine

Systemtic Name: 9-[[2,6-bis(fluoranyl)phenyl]methyl]-2-(3-methylbutylsulfanyl)purin-6-amine Openeye Name: 9-[(2,6-difluorophenyl)methyl]-2-isopentylsulfanyl-purin-6-amine CAS Name: 9-[(2,6-difluorophenyl)methyl]-2-(3-methylbutylthio)-6-purinamine IUPAC Name: 9-[(2,6-difluorophenyl)methyl]-2-(3-methylbutylsulfanyl)purin-6-amine Traditional Name: [9-(2,6-difluorobenzyl)-2-(isoamylthio)purin-6-yl]amine Formula: C17H19F2N5S MolecularWeight: 363.428066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C(=N1)N)N=CN2CC3=C(C=CC=C3F)F

Isomeric SMILES

CC(C)CCSC1=NC2=C(C(=N1)N)N=CN2CC3=C(C=CC=C3F)F

InChI

InChI=1S/C17H19F2N5S/c1-10(2)6-7-25-17-22-15(20)14-16(23-17)24(9-21-14)8-11-12(18)4-3-5-13(11)19/h3-5,9-10H,6-8H2,1-2H3,(H2,20,22,23)