8-[3-(4-ethenylphenyl)pyrazol-1-yl]-9-ethyl-N2-(phenylmethyl)purine-2,6-diamine

Systemtic Name: 8-[3-(4-ethenylphenyl)pyrazol-1-yl]-9-ethyl-N2-(phenylmethyl)purine-2,6-diamine Openeye Name: N2-benzyl-9-ethyl-8-[3-(4-vinylphenyl)pyrazol-1-yl]purine-2,6-diamine CAS Name: 8-[3-(4-ethenylphenyl)-1-pyrazolyl]-9-ethyl-N2-(phenylmethyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-8-[3-(4-ethenylphenyl)pyrazol-1-yl]-9-ethylpurine-2,6-diamine Traditional Name: [6-amino-9-ethyl-8-[3-(4-vinylphenyl)pyrazol-1-yl]purin-2-yl]-benzyl-amine Formula: C25H24N8 MolecularWeight: 436.51166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N8/c1-3-17-10-12-19(13-11-17)20-14-15-33(31-20)25-28-21-22(26)29-24(30-23(21)32(25)4-2)27-16-18-8-6-5-7-9-18/h3,5-15H,1,4,16H2,2H3,(H3,26,27,29,30)