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

Systemtic Name: 2-butylsulfanyl-9-[(2-fluoranyl-3-methyl-phenyl)methyl]purin-6-amine Openeye Name: 2-butylsulfanyl-9-[(2-fluoro-3-methyl-phenyl)methyl]purin-6-amine CAS Name: 2-(butylthio)-9-[(2-fluoro-3-methylphenyl)methyl]-6-purinamine IUPAC Name: 2-butylsulfanyl-9-[(2-fluoro-3-methylphenyl)methyl]purin-6-amine Traditional Name: [2-(butylthio)-9-(2-fluoro-3-methyl-benzyl)purin-6-yl]amine Formula: C17H20FN5S MolecularWeight: 345.437603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3F)C

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3F)C

InChI

InChI=1S/C17H20FN5S/c1-3-4-8-24-17-21-15(19)14-16(22-17)23(10-20-14)9-12-7-5-6-11(2)13(12)18/h5-7,10H,3-4,8-9H2,1-2H3,(H2,19,21,22)