6-[2-(3-methylphenyl)ethynyl]-9-(phenylmethyl)purin-2-amine

Systemtic Name: 6-[2-(3-methylphenyl)ethynyl]-9-(phenylmethyl)purin-2-amine Openeye Name: 9-benzyl-6-[2-(m-tolyl)ethynyl]purin-2-amine CAS Name: 6-[2-(3-methylphenyl)ethynyl]-9-(phenylmethyl)-2-purinamine IUPAC Name: 9-benzyl-6-[2-(3-methylphenyl)ethynyl]purin-2-amine Traditional Name: [9-benzyl-6-[2-(m-tolyl)ethynyl]purin-2-yl]amine Formula: C21H17N5 MolecularWeight: 339.39318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#CC2=C3C(=NC(=N2)N)N(C=N3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C#CC2=C3C(=NC(=N2)N)N(C=N3)CC4=CC=CC=C4

InChI

InChI=1S/C21H17N5/c1-15-6-5-9-16(12-15)10-11-18-19-20(25-21(22)24-18)26(14-23-19)13-17-7-3-2-4-8-17/h2-9,12,14H,13H2,1H3,(H2,22,24,25)