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

Systemtic Name: 6-[2-(4-nitrophenyl)ethynyl]-9-(phenylmethyl)purin-2-amine Openeye Name: 9-benzyl-6-[2-(4-nitrophenyl)ethynyl]purin-2-amine CAS Name: 6-[2-(4-nitrophenyl)ethynyl]-9-(phenylmethyl)-2-purinamine IUPAC Name: 9-benzyl-6-[2-(4-nitrophenyl)ethynyl]purin-2-amine Traditional Name: [9-benzyl-6-[2-(4-nitrophenyl)ethynyl]purin-2-yl]amine Formula: C20H14N6O2 MolecularWeight: 370.36416

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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=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)N)C#CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N6O2/c21-20-23-17(11-8-14-6-9-16(10-7-14)26(27)28)18-19(24-20)25(13-22-18)12-15-4-2-1-3-5-15/h1-7,9-10,13H,12H2,(H2,21,23,24)