8-(furan-2-yl)-9-methyl-N-phenethyl-2-(2-phenylethynyl)purin-6-amine

Systemtic Name: 8-(furan-2-yl)-9-methyl-N-phenethyl-2-(2-phenylethynyl)purin-6-amine Openeye Name: 8-(2-furyl)-9-methyl-N-phenethyl-2-(2-phenylethynyl)purin-6-amine CAS Name: 8-(2-furanyl)-9-methyl-N-phenethyl-2-(2-phenylethynyl)-6-purinamine IUPAC Name: 8-(furan-2-yl)-9-methyl-N-phenethyl-2-(2-phenylethynyl)purin-6-amine Traditional Name: [8-(2-furyl)-9-methyl-2-(2-phenylethynyl)purin-6-yl]-phenethyl-amine Formula: C26H21N5O MolecularWeight: 419.47784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3=CC=CC=C3)NCCC4=CC=CC=C4)N=C1C5=CC=CO5

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3=CC=CC=C3)NCCC4=CC=CC=C4)N=C1C5=CC=CO5

InChI

InChI=1S/C26H21N5O/c1-31-25(21-13-8-18-32-21)30-23-24(27-17-16-20-11-6-3-7-12-20)28-22(29-26(23)31)15-14-19-9-4-2-5-10-19/h2-13,18H,16-17H2,1H3,(H,27,28,29)