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6-ethyl-9-(3-ethylsulfonylphenyl)-2-(trifluoromethyl)purine

6-ethyl-9-(3-ethylsulfonylphenyl)-2-(trifluoromethyl)purine

Systemtic Name:6-ethyl-9-(3-ethylsulfonylphenyl)-2-(trifluoromethyl)purine
Openeye Name:6-ethyl-9-(3-ethylsulfonylphenyl)-2-(trifluoromethyl)purine
CAS Name:6-ethyl-9-(3-ethylsulfonylphenyl)-2-(trifluoromethyl)purine
IUPAC Name:6-ethyl-9-(3-ethylsulfonylphenyl)-2-(trifluoromethyl)purine
Traditional Name:9-(3-esylphenyl)-6-ethyl-2-(trifluoromethyl)purine
Formula: C16H15F3N4O2S
MolecularWeight: 384.37611
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=CC(=CC=C3)S(=O)(=O)CC


Isomeric SMILES

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=CC(=CC=C3)S(=O)(=O)CC


InChI

InChI=1S/C16H15F3N4O2S/c1-3-12-13-14(22-15(21-12)16(17,18)19)23(9-20-13)10-6-5-7-11(8-10)26(24,25)4-2/h5-9H,3-4H2,1-2H3


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