9-methyl-2-phenethyl-8-piperidin-1-yl-6-(trifluoromethyl)purine

Systemtic Name: 9-methyl-2-phenethyl-8-piperidin-1-yl-6-(trifluoromethyl)purine Openeye Name: 9-methyl-2-phenethyl-8-(1-piperidyl)-6-(trifluoromethyl)purine CAS Name: 9-methyl-2-phenethyl-8-(1-piperidinyl)-6-(trifluoromethyl)purine IUPAC Name: 9-methyl-2-phenethyl-8-piperidin-1-yl-6-(trifluoromethyl)purine Traditional Name: 9-methyl-2-phenethyl-8-piperidino-6-(trifluoromethyl)purine Formula: C20H22F3N5 MolecularWeight: 389.41739

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC(=C2N=C1N3CCCCC3)C(F)(F)F)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=NC(=NC(=C2N=C1N3CCCCC3)C(F)(F)F)CCC4=CC=CC=C4

InChI

InChI=1S/C20H22F3N5/c1-27-18-16(26-19(27)28-12-6-3-7-13-28)17(20(21,22)23)24-15(25-18)11-10-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3