8-[2-(1,10-phenanthrolin-2-yl)ethynyl]-9-(phenylmethyl)purin-6-amine

Systemtic Name: 8-[2-(1,10-phenanthrolin-2-yl)ethynyl]-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-8-[2-(1,10-phenanthrolin-2-yl)ethynyl]purin-6-amine CAS Name: 8-[2-(1,10-phenanthrolin-2-yl)ethynyl]-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-8-[2-(1,10-phenanthrolin-2-yl)ethynyl]purin-6-amine Traditional Name: [9-benzyl-8-[2-(1,10-phenanthrolin-2-yl)ethynyl]purin-6-yl]amine Formula: C26H17N7 MolecularWeight: 427.46008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC3=C2N=CN=C3N)C#CC4=NC5=C(C=CC6=C5N=CC=C6)C=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC3=C2N=CN=C3N)C#CC4=NC5=C(C=CC6=C5N=CC=C6)C=C4

InChI

InChI=1S/C26H17N7/c27-25-24-26(30-16-29-25)33(15-17-5-2-1-3-6-17)21(32-24)13-12-20-11-10-19-9-8-18-7-4-14-28-22(18)23(19)31-20/h1-11,14,16H,15H2,(H2,27,29,30)