2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorophenyl)-9-(phenylmethyl)purin-6-amine

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorophenyl)-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorophenyl)purin-6-amine CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-N-(4-fluorophenyl)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorophenyl)purin-6-amine Traditional Name: [9-benzyl-2-(3,5-dimethylpyrazol-1-yl)purin-6-yl]-(4-fluorophenyl)amine Formula: C23H20FN7 MolecularWeight: 413.450203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(C(=N2)NC4=CC=C(C=C4)F)N=CN3CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(C(=N2)NC4=CC=C(C=C4)F)N=CN3CC5=CC=CC=C5)C

InChI

InChI=1S/C23H20FN7/c1-15-12-16(2)31(29-15)23-27-21(26-19-10-8-18(24)9-11-19)20-22(28-23)30(14-25-20)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,26,27,28)