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9-(1-cyclopropylprop-2-ynyl)-8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine

9-(1-cyclopropylprop-2-ynyl)-8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine

Systemtic Name:9-(1-cyclopropylprop-2-ynyl)-8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine
Openeye Name:9-(1-cyclopropylprop-2-ynyl)-8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine
CAS Name:9-(1-cyclopropylprop-2-ynyl)-8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine
IUPAC Name:9-(1-cyclopropylprop-2-ynyl)-8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine
Traditional Name:9-(1-cyclopropylprop-2-ynyl)-8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine
Formula: C21H19F3N4O
MolecularWeight: 400.39697
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N=CN=C2N1C(C#C)C3CC3)C4=C(C=C(C=C4)OC)C(F)(F)F


Isomeric SMILES

CCC1=NC2=C(N=CN=C2N1C(C#C)C3CC3)C4=C(C=C(C=C4)OC)C(F)(F)F


InChI

InChI=1S/C21H19F3N4O/c1-4-16(12-6-7-12)28-17(5-2)27-19-18(25-11-26-20(19)28)14-9-8-13(29-3)10-15(14)21(22,23)24/h1,8-12,16H,5-7H2,2-3H3


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