2-(3,3-diphenylbut-1-ynyl)-8-(3-fluorophenyl)-9-methyl-purin-6-amine

Systemtic Name: 2-(3,3-diphenylbut-1-ynyl)-8-(3-fluorophenyl)-9-methyl-purin-6-amine Openeye Name: 2-(3,3-diphenylbut-1-ynyl)-8-(3-fluorophenyl)-9-methyl-purin-6-amine CAS Name: 2-(3,3-diphenylbut-1-ynyl)-8-(3-fluorophenyl)-9-methyl-6-purinamine IUPAC Name: 2-(3,3-diphenylbut-1-ynyl)-8-(3-fluorophenyl)-9-methylpurin-6-amine Traditional Name: [2-(3,3-diphenylbut-1-ynyl)-8-(3-fluorophenyl)-9-methyl-purin-6-yl]amine Formula: C28H22FN5 MolecularWeight: 447.506183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H22FN5/c1-28(20-11-5-3-6-12-20,21-13-7-4-8-14-21)17-16-23-31-25(30)24-27(32-23)34(2)26(33-24)19-10-9-15-22(29)18-19/h3-15,18H,1-2H3,(H2,30,31,32)