N2-phenethyl-8-pyrazol-1-yl-9-[3,3,3-tris(fluoranyl)propyl]purine-2,6-diamine

Systemtic Name: N2-phenethyl-8-pyrazol-1-yl-9-[3,3,3-tris(fluoranyl)propyl]purine-2,6-diamine Openeye Name: N2-phenethyl-8-pyrazol-1-yl-9-(3,3,3-trifluoropropyl)purine-2,6-diamine CAS Name: N2-phenethyl-8-(1-pyrazolyl)-9-(3,3,3-trifluoropropyl)purine-2,6-diamine IUPAC Name: 2-N-phenethyl-8-pyrazol-1-yl-9-(3,3,3-trifluoropropyl)purine-2,6-diamine Traditional Name: [6-amino-8-pyrazol-1-yl-9-(3,3,3-trifluoropropyl)purin-2-yl]-phenethyl-amine Formula: C19H19F3N8 MolecularWeight: 416.40297

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC3=C(C(=N2)N)N=C(N3CCC(F)(F)F)N4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC3=C(C(=N2)N)N=C(N3CCC(F)(F)F)N4C=CC=N4

InChI

InChI=1S/C19H19F3N8/c20-19(21,22)8-12-29-16-14(26-18(29)30-11-4-9-25-30)15(23)27-17(28-16)24-10-7-13-5-2-1-3-6-13/h1-6,9,11H,7-8,10,12H2,(H3,23,24,27,28)