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9-methyl-1-phenyl-2-[4,4,4-tris(fluoranyl)butyl]purin-6-one

9-methyl-1-phenyl-2-[4,4,4-tris(fluoranyl)butyl]purin-6-one

Systemtic Name:9-methyl-1-phenyl-2-[4,4,4-tris(fluoranyl)butyl]purin-6-one
Openeye Name:9-methyl-1-phenyl-2-(4,4,4-trifluorobutyl)purin-6-one
CAS Name:9-methyl-1-phenyl-2-(4,4,4-trifluorobutyl)-6-purinone
IUPAC Name:9-methyl-1-phenyl-2-(4,4,4-trifluorobutyl)purin-6-one
Traditional Name:9-methyl-1-phenyl-2-(4,4,4-trifluorobutyl)purin-6-one
Formula: C16H15F3N4O
MolecularWeight: 336.31171
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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N(C2=O)C3=CC=CC=C3)CCCC(F)(F)F


Isomeric SMILES

CN1C=NC2=C1N=C(N(C2=O)C3=CC=CC=C3)CCCC(F)(F)F


InChI

InChI=1S/C16H15F3N4O/c1-22-10-20-13-14(22)21-12(8-5-9-16(17,18)19)23(15(13)24)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3


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