2,6-bis[2-(4-methoxyphenyl)ethynyl]-9-propan-2-yl-purine

Systemtic Name: 2,6-bis[2-(4-methoxyphenyl)ethynyl]-9-propan-2-yl-purine Openeye Name: 9-isopropyl-2,6-bis[2-(4-methoxyphenyl)ethynyl]purine CAS Name: 2,6-bis[2-(4-methoxyphenyl)ethynyl]-9-propan-2-ylpurine IUPAC Name: 2,6-bis[2-(4-methoxyphenyl)ethynyl]-9-propan-2-ylpurine Traditional Name: 9-isopropyl-2,6-bis[2-(4-methoxyphenyl)ethynyl]purine Formula: C26H22N4O2 MolecularWeight: 422.47848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C(N=C(N=C21)C#CC3=CC=C(C=C3)OC)C#CC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)N1C=NC2=C(N=C(N=C21)C#CC3=CC=C(C=C3)OC)C#CC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H22N4O2/c1-18(2)30-17-27-25-23(15-9-19-5-11-21(31-3)12-6-19)28-24(29-26(25)30)16-10-20-7-13-22(32-4)14-8-20/h5-8,11-14,17-18H,1-4H3