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

Systemtic Name: 8-[4-(4-chlorophenyl)pyrazol-1-yl]-9-ethyl-N2-(phenylmethyl)purine-2,6-diamine Openeye Name: N2-benzyl-8-[4-(4-chlorophenyl)pyrazol-1-yl]-9-ethyl-purine-2,6-diamine CAS Name: 8-[4-(4-chlorophenyl)-1-pyrazolyl]-9-ethyl-N2-(phenylmethyl)purine-2,6-diamine IUPAC Name: 2-N-benzyl-8-[4-(4-chlorophenyl)pyrazol-1-yl]-9-ethylpurine-2,6-diamine Traditional Name: [6-amino-8-[4-(4-chlorophenyl)pyrazol-1-yl]-9-ethyl-purin-2-yl]-benzyl-amine Formula: C23H21ClN8 MolecularWeight: 444.91944

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN8/c1-2-31-21-19(20(25)29-22(30-21)26-12-15-6-4-3-5-7-15)28-23(31)32-14-17(13-27-32)16-8-10-18(24)11-9-16/h3-11,13-14H,2,12H2,1H3,(H3,25,26,29,30)