9-(phenylmethyl)-8-[2-(6-pyridin-2-ylpyridin-3-yl)ethynyl]purin-6-amine

Systemtic Name: 9-(phenylmethyl)-8-[2-(6-pyridin-2-ylpyridin-3-yl)ethynyl]purin-6-amine Openeye Name: 9-benzyl-8-[2-[6-(2-pyridyl)-3-pyridyl]ethynyl]purin-6-amine CAS Name: 9-(phenylmethyl)-8-[2-[6-(2-pyridinyl)-3-pyridinyl]ethynyl]-6-purinamine IUPAC Name: 9-benzyl-8-[2-(6-pyridin-2-ylpyridin-3-yl)ethynyl]purin-6-amine Traditional Name: [9-benzyl-8-[2-[6-(2-pyridyl)-3-pyridyl]ethynyl]purin-6-yl]amine Formula: C24H17N7 MolecularWeight: 403.43868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC3=C2N=CN=C3N)C#CC4=CN=C(C=C4)C5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC3=C2N=CN=C3N)C#CC4=CN=C(C=C4)C5=CC=CC=N5

InChI

InChI=1S/C24H17N7/c25-23-22-24(29-16-28-23)31(15-18-6-2-1-3-7-18)21(30-22)12-10-17-9-11-20(27-14-17)19-8-4-5-13-26-19/h1-9,11,13-14,16H,15H2,(H2,25,28,29)