6-[2-(4-methoxyphenyl)ethynyl]-9-(phenylmethyl)purin-2-amine

Systemtic Name: 6-[2-(4-methoxyphenyl)ethynyl]-9-(phenylmethyl)purin-2-amine Openeye Name: 9-benzyl-6-[2-(4-methoxyphenyl)ethynyl]purin-2-amine CAS Name: 6-[2-(4-methoxyphenyl)ethynyl]-9-(phenylmethyl)-2-purinamine IUPAC Name: 9-benzyl-6-[2-(4-methoxyphenyl)ethynyl]purin-2-amine Traditional Name: [9-benzyl-6-[2-(4-methoxyphenyl)ethynyl]purin-2-yl]amine Formula: C21H17N5O MolecularWeight: 355.39258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=C3C(=NC(=N2)N)N(C=N3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=C3C(=NC(=N2)N)N(C=N3)CC4=CC=CC=C4

InChI

InChI=1S/C21H17N5O/c1-27-17-10-7-15(8-11-17)9-12-18-19-20(25-21(22)24-18)26(14-23-19)13-16-5-3-2-4-6-16/h2-8,10-11,14H,13H2,1H3,(H2,22,24,25)