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

Systemtic Name: 9-ethyl-8-[3-(4-ethylphenyl)pyrazol-1-yl]-N2-(phenylmethyl)purine-2,6-diamine Openeye Name: N2-benzyl-9-ethyl-8-[3-(4-ethylphenyl)pyrazol-1-yl]purine-2,6-diamine CAS Name: 9-ethyl-8-[3-(4-ethylphenyl)-1-pyrazolyl]-N2-(phenylmethyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-9-ethyl-8-[3-(4-ethylphenyl)pyrazol-1-yl]purine-2,6-diamine Traditional Name: [6-amino-9-ethyl-8-[3-(4-ethylphenyl)pyrazol-1-yl]purin-2-yl]-benzyl-amine Formula: C25H26N8 MolecularWeight: 438.52754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2)C3=NC4=C(N3CC)N=C(N=C4N)NCC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2)C3=NC4=C(N3CC)N=C(N=C4N)NCC5=CC=CC=C5

InChI

InChI=1S/C25H26N8/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/h5-15H,3-4,16H2,1-2H3,(H3,26,27,29,30)