9-ethyl-8-(4-fluoranyl-3-phenyl-pyrazol-1-yl)-N2-(phenylmethyl)purine-2,6-diamine

Systemtic Name: 9-ethyl-8-(4-fluoranyl-3-phenyl-pyrazol-1-yl)-N2-(phenylmethyl)purine-2,6-diamine Openeye Name: N2-benzyl-9-ethyl-8-(4-fluoro-3-phenyl-pyrazol-1-yl)purine-2,6-diamine CAS Name: 9-ethyl-8-(4-fluoro-3-phenyl-1-pyrazolyl)-N2-(phenylmethyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-9-ethyl-8-(4-fluoro-3-phenylpyrazol-1-yl)purine-2,6-diamine Traditional Name: [6-amino-9-ethyl-8-(4-fluoro-3-phenyl-pyrazol-1-yl)purin-2-yl]-benzyl-amine Formula: C23H21FN8 MolecularWeight: 428.464843

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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)C5=CC=CC=C5)F

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=C(C(=N4)C5=CC=CC=C5)F

InChI

InChI=1S/C23H21FN8/c1-2-31-21-19(20(25)28-22(29-21)26-13-15-9-5-3-6-10-15)27-23(31)32-14-17(24)18(30-32)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H3,25,26,28,29)