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

Systemtic Name: 2-butylsulfanyl-9-[(3-fluoranyl-4-methyl-phenyl)methyl]purin-6-amine Openeye Name: 2-butylsulfanyl-9-[(3-fluoro-4-methyl-phenyl)methyl]purin-6-amine CAS Name: 2-(butylthio)-9-[(3-fluoro-4-methylphenyl)methyl]-6-purinamine IUPAC Name: 2-butylsulfanyl-9-[(3-fluoro-4-methylphenyl)methyl]purin-6-amine Traditional Name: [2-(butylthio)-9-(3-fluoro-4-methyl-benzyl)purin-6-yl]amine Formula: C17H20FN5S MolecularWeight: 345.437603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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