8-butyl-N-phenyl-6-[2,2,2-tris(fluoranyl)ethylsulfanyl]-7H-purin-2-amine

Systemtic Name: 8-butyl-N-phenyl-6-[2,2,2-tris(fluoranyl)ethylsulfanyl]-7H-purin-2-amine Openeye Name: 8-butyl-N-phenyl-6-(2,2,2-trifluoroethylsulfanyl)-7H-purin-2-amine CAS Name: 8-butyl-N-phenyl-6-(2,2,2-trifluoroethylthio)-7H-purin-2-amine IUPAC Name: 8-butyl-N-phenyl-6-(2,2,2-trifluoroethylsulfanyl)-7H-purin-2-amine Traditional Name: [8-butyl-6-(2,2,2-trifluoroethylthio)-7H-purin-2-yl]-phenyl-amine Formula: C17H18F3N5S MolecularWeight: 381.41853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1)C(=NC(=N2)NC3=CC=CC=C3)SCC(F)(F)F

Isomeric SMILES

CCCCC1=NC2=C(N1)C(=NC(=N2)NC3=CC=CC=C3)SCC(F)(F)F

InChI

InChI=1S/C17H18F3N5S/c1-2-3-9-12-22-13-14(23-12)24-16(21-11-7-5-4-6-8-11)25-15(13)26-10-17(18,19)20/h4-8H,2-3,9-10H2,1H3,(H2,21,22,23,24,25)