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6-(2-cyclopropylethynyl)-1,9-bis(phenylmethyl)-6-(trifluoromethyl)-3H-purin-2-one

6-(2-cyclopropylethynyl)-1,9-bis(phenylmethyl)-6-(trifluoromethyl)-3H-purin-2-one

Systemtic Name:6-(2-cyclopropylethynyl)-1,9-bis(phenylmethyl)-6-(trifluoromethyl)-3H-purin-2-one
Openeye Name:1,9-dibenzyl-6-(2-cyclopropylethynyl)-6-(trifluoromethyl)-3H-purin-2-one
CAS Name:6-(2-cyclopropylethynyl)-1,9-bis(phenylmethyl)-6-(trifluoromethyl)-3H-purin-2-one
IUPAC Name:1,9-dibenzyl-6-(2-cyclopropylethynyl)-6-(trifluoromethyl)-3H-purin-2-one
Traditional Name:1,9-dibenzyl-6-(2-cyclopropylethynyl)-6-(trifluoromethyl)-3H-purin-2-one
Formula: C25H21F3N4O
MolecularWeight: 450.45565
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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C#CC2(C3=C(NC(=O)N2CC4=CC=CC=C4)N(C=N3)CC5=CC=CC=C5)C(F)(F)F


Isomeric SMILES

C1CC1C#CC2(C3=C(NC(=O)N2CC4=CC=CC=C4)N(C=N3)CC5=CC=CC=C5)C(F)(F)F


InChI

InChI=1S/C25H21F3N4O/c26-25(27,28)24(14-13-18-11-12-18)21-22(31(17-29-21)15-19-7-3-1-4-8-19)30-23(33)32(24)16-20-9-5-2-6-10-20/h1-10,17-18H,11-12,15-16H2,(H,30,33)


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