9-ethyl-N2-(phenylmethyl)-8-[4-(trifluoromethyl)pyrazol-1-yl]purine-2,6-diamine

Systemtic Name: 9-ethyl-N2-(phenylmethyl)-8-[4-(trifluoromethyl)pyrazol-1-yl]purine-2,6-diamine Openeye Name: N2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine-2,6-diamine CAS Name: 9-ethyl-N2-(phenylmethyl)-8-[4-(trifluoromethyl)-1-pyrazolyl]purine-2,6-diamine IUPAC Name: 2-N-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine-2,6-diamine Traditional Name: [6-amino-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purin-2-yl]-benzyl-amine Formula: C18H17F3N8 MolecularWeight: 402.37639

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=C(C=N4)C(F)(F)F

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=C(C=N4)C(F)(F)F

InChI

InChI=1S/C18H17F3N8/c1-2-28-15-13(25-17(28)29-10-12(9-24-29)18(19,20)21)14(22)26-16(27-15)23-8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H3,22,23,26,27)