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

Systemtic Name: 9-ethyl-8-[4-(4-methoxyphenyl)pyrazol-1-yl]-N2-(phenylmethyl)purine-2,6-diamine Openeye Name: N2-benzyl-9-ethyl-8-[4-(4-methoxyphenyl)pyrazol-1-yl]purine-2,6-diamine CAS Name: 9-ethyl-8-[4-(4-methoxyphenyl)-1-pyrazolyl]-N2-(phenylmethyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-9-ethyl-8-[4-(4-methoxyphenyl)pyrazol-1-yl]purine-2,6-diamine Traditional Name: [6-amino-9-ethyl-8-[4-(4-methoxyphenyl)pyrazol-1-yl]purin-2-yl]-benzyl-amine Formula: C24H24N8O MolecularWeight: 440.50036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N8O/c1-3-31-22-20(21(25)29-23(30-22)26-13-16-7-5-4-6-8-16)28-24(31)32-15-18(14-27-32)17-9-11-19(33-2)12-10-17/h4-12,14-15H,3,13H2,1-2H3,(H3,25,26,29,30)