9-methyl-N-phenethyl-8-piperidin-1-yl-6-(trifluoromethyl)purin-2-amine

Systemtic Name: 9-methyl-N-phenethyl-8-piperidin-1-yl-6-(trifluoromethyl)purin-2-amine Openeye Name: 9-methyl-N-phenethyl-8-(1-piperidyl)-6-(trifluoromethyl)purin-2-amine CAS Name: 9-methyl-N-phenethyl-8-(1-piperidinyl)-6-(trifluoromethyl)-2-purinamine IUPAC Name: 9-methyl-N-phenethyl-8-piperidin-1-yl-6-(trifluoromethyl)purin-2-amine Traditional Name: [9-methyl-8-piperidino-6-(trifluoromethyl)purin-2-yl]-phenethyl-amine Formula: C20H23F3N6 MolecularWeight: 404.43203

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC(=C2N=C1N3CCCCC3)C(F)(F)F)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=NC(=NC(=C2N=C1N3CCCCC3)C(F)(F)F)NCCC4=CC=CC=C4

InChI

InChI=1S/C20H23F3N6/c1-28-17-15(25-19(28)29-12-6-3-7-13-29)16(20(21,22)23)26-18(27-17)24-11-10-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,24,26,27)