9-(phenylmethyl)-6-(2-pyridin-3-ylethynyl)purin-2-amine

Systemtic Name: 9-(phenylmethyl)-6-(2-pyridin-3-ylethynyl)purin-2-amine Openeye Name: 9-benzyl-6-[2-(3-pyridyl)ethynyl]purin-2-amine CAS Name: 9-(phenylmethyl)-6-[2-(3-pyridinyl)ethynyl]-2-purinamine IUPAC Name: 9-benzyl-6-(2-pyridin-3-ylethynyl)purin-2-amine Traditional Name: [9-benzyl-6-[2-(3-pyridyl)ethynyl]purin-2-yl]amine Formula: C19H14N6 MolecularWeight: 326.35466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)N)C#CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)N)C#CC4=CN=CC=C4

InChI

InChI=1S/C19H14N6/c20-19-23-16(9-8-14-7-4-10-21-11-14)17-18(24-19)25(13-22-17)12-15-5-2-1-3-6-15/h1-7,10-11,13H,12H2,(H2,20,23,24)